4-BR-2-(2-((CYCLOHEXYLAMINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE

CAS No.
769150-04-1
CCD No.
CCD00487800
Formula
C21 H21 Br Cl N3 O2 S
MolWeight
494.839

Basic Information

Product Name: 4-BR-2-(2-((CYCLOHEXYLAMINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
CAS: 769150-04-1
English Synonyms: 4-BR-2-(2-((CYCLOHEXYLAMINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
MDL Number.: MFCD05154004
H bond acceptor: 5
H bond donor: 2
Smile: c1cc(ccc1C(=O)Oc2ccc(cc2/C=N/NC(=S)NC3CCCCC3)Br)Cl
InChi: InChI=1S/C21H21BrClN3O2S/c22-16-8-11-19(28-20(27)14-6-9-17(23)10-7-14)15(12-16)13-24-26-21(29)25-18-4-2-1-3-5-18/h6-13,18H,1-5H2,(H2,25,26,29)/b24-13+
InChiKey: InChIKey=VDTDAFAOBJSQEF-ZMOGYAJESA-N

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