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

Systemtic Name: methyl 2-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]carbothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[[4-(o-tolylmethyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 2-[[[4-[(2-methylphenyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[[4-[(2-methylphenyl)methyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[4-(2-methylbenzyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C26H29N3O2S2 MolecularWeight: 479.65736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=S)NC3=C(C=C(S3)CC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=S)NC3=C(C=C(S3)CC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C26H29N3O2S2/c1-19-8-6-7-11-21(19)18-28-12-14-29(15-13-28)26(32)27-24-23(25(30)31-2)17-22(33-24)16-20-9-4-3-5-10-20/h3-11,17H,12-16,18H2,1-2H3,(H,27,32)