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

Systemtic Name: ethyl 5-phenyl-2-[(4-piperidin-1-ylcarbonylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-phenyl-2-[[4-(piperidine-1-carbonyl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[4-[oxo(1-piperidinyl)methyl]anilino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-2-[[4-(piperidine-1-carbonyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-phenyl-2-[[4-(piperidine-1-carbonyl)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C26H27N3O3S2 MolecularWeight: 493.64088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O3S2/c1-2-32-25(31)21-17-22(18-9-5-3-6-10-18)34-23(21)28-26(33)27-20-13-11-19(12-14-20)24(30)29-15-7-4-8-16-29/h3,5-6,9-14,17H,2,4,7-8,15-16H2,1H3,(H2,27,28,33)