methyl 3-chloranyl-6-[[4-[oxidanyl(diphenyl)methyl]piperidin-1-yl]carbothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[4-[oxidanyl(diphenyl)methyl]piperidin-1-yl]carbothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[4-[hydroxy(diphenyl)methyl]-1-piperidinyl]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C29H27ClN2O3S2 MolecularWeight: 551.11928

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)N3CCC(CC3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)N3CCC(CC3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)Cl

InChI

InChI=1S/C29H27ClN2O3S2/c1-35-27(33)26-25(30)23-13-12-22(18-24(23)37-26)31-28(36)32-16-14-21(15-17-32)29(34,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,18,21,34H,14-17H2,1H3,(H,31,36)