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

Systemtic Name: methyl 2-[[4-(diphenylmethyl)piperazin-1-yl]carbothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(diphenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C27H31N3O2S2 MolecularWeight: 493.68394

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C27H31N3O2S2/c1-4-22-19(2)34-25(23(22)26(31)32-3)28-27(33)30-17-15-29(16-18-30)24(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,24H,4,15-18H2,1-3H3,(H,28,33)