dimethyl 2-[[4-[oxidanyl(diphenyl)methyl]piperidin-1-yl]carbothioylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[[4-[oxidanyl(diphenyl)methyl]piperidin-1-yl]carbothioylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[[4-[hydroxy(diphenyl)methyl]-1-piperidinyl]-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C29H30N2O5S MolecularWeight: 518.6239

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30N2O5S/c1-35-26(32)20-13-14-24(27(33)36-2)25(19-20)30-28(37)31-17-15-23(16-18-31)29(34,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,19,23,34H,15-18H2,1-2H3,(H,30,37)