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

Systemtic Name: methyl 2-[[3-methyl-4-(4-methylphenyl)piperazin-1-yl]carbothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[[3-methyl-4-(p-tolyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 2-[[[3-methyl-4-(4-methylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[[3-methyl-4-(4-methylphenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[3-methyl-4-(p-tolyl)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:

CC1CN(CCN1C2=CC=C(C=C2)C)C(=S)NC3=C(C=C(S3)CC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1CN(CCN1C2=CC=C(C=C2)C)C(=S)NC3=C(C=C(S3)CC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C26H29N3O2S2/c1-18-9-11-21(12-10-18)29-14-13-28(17-19(29)2)26(32)27-24-23(25(30)31-3)16-22(33-24)15-20-7-5-4-6-8-20/h4-12,16,19H,13-15,17H2,1-3H3,(H,27,32)