methyl 3-[[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]carbothioylamino]benzoate

Systemtic Name: methyl 3-[[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 3-[[4-[4-(3,4-dichlorophenyl)thiazol-2-yl]piperidine-1-carbothioyl]amino]benzoate CAS Name: 3-[[[4-[4-(3,4-dichlorophenyl)-2-thiazolyl]-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidine-1-carbothioyl]amino]benzoate Traditional Name: 3-[[4-[4-(3,4-dichlorophenyl)thiazol-2-yl]piperidine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C23H21Cl2N3O2S2 MolecularWeight: 506.46774

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=S)N2CCC(CC2)C3=NC(=CS3)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=S)N2CCC(CC2)C3=NC(=CS3)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C23H21Cl2N3O2S2/c1-30-22(29)16-3-2-4-17(11-16)26-23(31)28-9-7-14(8-10-28)21-27-20(13-32-21)15-5-6-18(24)19(25)12-15/h2-6,11-14H,7-10H2,1H3,(H,26,31)