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

Systemtic Name: ethyl 5-methyl-4-phenyl-2-[(4-piperidin-1-ylcarbonylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-4-phenyl-2-[[4-(piperidine-1-carbonyl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[4-[oxo(1-piperidinyl)methyl]anilino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-phenyl-2-[[4-(piperidine-1-carbonyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-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(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=C(C=C3)C(=O)N4CCCCC4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=C(C=C3)C(=O)N4CCCCC4

InChI

InChI=1S/C27H29N3O3S2/c1-3-33-26(32)23-22(19-10-6-4-7-11-19)18(2)35-24(23)29-27(34)28-21-14-12-20(13-15-21)25(31)30-16-8-5-9-17-30/h4,6-7,10-15H,3,5,8-9,16-17H2,1-2H3,(H2,28,29,34)