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

Systemtic Name: ethyl 2-[[4-(diphenylmethyl)piperazin-1-yl]carbothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(diphenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C32H33N3O2S2 MolecularWeight: 555.75332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C32H33N3O2S2/c1-3-37-31(36)28-27(24-13-7-4-8-14-24)23(2)39-30(28)33-32(38)35-21-19-34(20-22-35)29(25-15-9-5-10-16-25)26-17-11-6-12-18-26/h4-18,29H,3,19-22H2,1-2H3,(H,33,38)