ethyl 5-(phenylmethyl)-2-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-(phenylmethyl)-2-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[[4-(1-piperidylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[[4-(1-piperidinylmethyl)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[4-(piperidinomethyl)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C27H31N3O2S2 MolecularWeight: 493.68394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)CN4CCCCC4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)CN4CCCCC4

InChI

InChI=1S/C27H31N3O2S2/c1-2-32-26(31)24-18-23(17-20-9-5-3-6-10-20)34-25(24)29-27(33)28-22-13-11-21(12-14-22)19-30-15-7-4-8-16-30/h3,5-6,9-14,18H,2,4,7-8,15-17,19H2,1H3,(H2,28,29,33)