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

Systemtic Name: methyl 2-[[4-(diphenylmethyl)piperazin-1-yl]carbothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C31H31N3O2S2 MolecularWeight: 541.72674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC)C5=CC=CC=C5

InChI

InChI=1S/C31H31N3O2S2/c1-22-26(23-12-6-3-7-13-23)27(30(35)36-2)29(38-22)32-31(37)34-20-18-33(19-21-34)28(24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-17,28H,18-21H2,1-2H3,(H,32,37)