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

Systemtic Name: ethyl 5-methyl-4-phenyl-2-[[4-(phenylmethyl)piperidin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-benzylpiperidine-1-carbothioyl)amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[[4-(phenylmethyl)-1-piperidinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-benzylpiperidine-1-carbothioyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-benzylpiperidine-1-carbothioyl)amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H30N2O2S2 MolecularWeight: 478.6693

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O2S2/c1-3-31-26(30)24-23(22-12-8-5-9-13-22)19(2)33-25(24)28-27(32)29-16-14-21(15-17-29)18-20-10-6-4-7-11-20/h4-13,21H,3,14-18H2,1-2H3,(H,28,32)