ethyl 5-methyl-2-[[4-[oxidanyl(diphenyl)methyl]piperidin-1-yl]carbothioylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-2-[[4-[oxidanyl(diphenyl)methyl]piperidin-1-yl]carbothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[hydroxy(diphenyl)methyl]-1-piperidinyl]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C33H34N2O3S2 MolecularWeight: 570.76466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCC(CC3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCC(CC3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O

InChI

InChI=1S/C33H34N2O3S2/c1-3-38-31(36)29-28(24-13-7-4-8-14-24)23(2)40-30(29)34-32(39)35-21-19-27(20-22-35)33(37,25-15-9-5-10-16-25)26-17-11-6-12-18-26/h4-18,27,37H,3,19-22H2,1-2H3,(H,34,39)