5-CHLORO-2-[[[[3-[4-(1-METHYLETHYL)PHENYL]-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID

CAS No.
535948-63-1
CCD No.
CCD00397017
Formula
C20 H19 Cl N2 O3 S
MolWeight
402.9

Basic Information

Product Name: 5-CHLORO-2-[[[[3-[4-(1-METHYLETHYL)PHENYL]-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
CAS: 535948-63-1
English Synonyms: 5-CHLORO-2-[[[[3-[4-(1-METHYLETHYL)PHENYL]-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID ; BENZOIC ACID, 5-CHLORO-2-[[[[3-[4-(1-METHYLETHYL)PHENYL]-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-
MDL Number.: MFCD03572077
H bond acceptor: 5
H bond donor: 3
Smile: CC(C)c1ccc(cc1)/C=C/C(=O)NC(=S)Nc2ccc(cc2C(=O)O)Cl
InChi: InChI=1S/C20H19ClN2O3S/c1-12(2)14-6-3-13(4-7-14)5-10-18(24)23-20(27)22-17-9-8-15(21)11-16(17)19(25)26/h3-12H,1-2H3,(H,25,26)(H2,22,23,24,27)/b10-5+
InChiKey: InChIKey=NONPWRWFENOQFC-BJMVGYQFSA-N

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