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

Systemtic Name: ethyl 5-(phenylmethyl)-2-[[4-(phenylmethyl)piperidin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(4-benzylpiperidine-1-carbothioyl)amino]thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[[4-(phenylmethyl)-1-piperidinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(4-benzylpiperidine-1-carbothioyl)amino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(4-benzylpiperidine-1-carbothioyl)amino]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(=C1)CC2=CC=CC=C2)NC(=S)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O2S2/c1-2-31-26(30)24-19-23(18-21-11-7-4-8-12-21)33-25(24)28-27(32)29-15-13-22(14-16-29)17-20-9-5-3-6-10-20/h3-12,19,22H,2,13-18H2,1H3,(H,28,32)