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

Systemtic Name: ethyl 5-(phenylmethyl)-2-[(4-piperidin-1-ylcarbonylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[[4-(piperidine-1-carbonyl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[4-[oxo(1-piperidinyl)methyl]anilino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[4-(piperidine-1-carbonyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[4-(piperidine-1-carbonyl)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C27H29N3O3S2 MolecularWeight: 507.66746

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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)C(=O)N4CCCCC4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)C(=O)N4CCCCC4

InChI

InChI=1S/C27H29N3O3S2/c1-2-33-26(32)23-18-22(17-19-9-5-3-6-10-19)35-24(23)29-27(34)28-21-13-11-20(12-14-21)25(31)30-15-7-4-8-16-30/h3,5-6,9-14,18H,2,4,7-8,15-17H2,1H3,(H2,28,29,34)