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

CAS No.
532417-76-8
CCD No.
CCD00396547
Formula
C20 H19 Cl N2 O3 S
MolWeight
402.9

Basic Information

Product Name: 4-CHLORO-3-[[[[3-[4-(1-METHYLETHYL)PHENYL]-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
CAS: 532417-76-8
English Synonyms: BENZOIC ACID, 4-CHLORO-3-[[[[3-[4-(1-METHYLETHYL)PHENYL]-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]- ; 4-CHLORO-3-[[[[3-[4-(1-METHYLETHYL)PHENYL]-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
MDL Number.: MFCD03568081
H bond acceptor: 5
H bond donor: 3
Smile: CC(C)c1ccc(cc1)/C=C/C(=O)NC(=S)Nc2cc(ccc2Cl)C(=O)O
InChi: InChI=1S/C20H19ClN2O3S/c1-12(2)14-6-3-13(4-7-14)5-10-18(24)23-20(27)22-17-11-15(19(25)26)8-9-16(17)21/h3-12H,1-2H3,(H,25,26)(H2,22,23,24,27)/b10-5+
InChiKey: InChIKey=ZILMERDJHZAQJS-BJMVGYQFSA-N

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