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

Systemtic Name: methyl 2-[[4-(diphenylmethyl)piperazin-1-yl]carbothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(diphenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C25H27N3O2S2 MolecularWeight: 465.63078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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