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

Systemtic Name: ethyl 5-phenyl-2-[[4-(phenylmethyl)piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-benzylpiperazine-1-carbothioyl)amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-benzylpiperazine-1-carbothioyl)amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-benzylpiperazine-1-carbothioyl)amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H27N3O2S2 MolecularWeight: 465.63078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O2S2/c1-2-30-24(29)21-17-22(20-11-7-4-8-12-20)32-23(21)26-25(31)28-15-13-27(14-16-28)18-19-9-5-3-6-10-19/h3-12,17H,2,13-16,18H2,1H3,(H,26,31)