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

Systemtic Name: methyl 5-methyl-2-[[3-methyl-4-(4-methylphenyl)piperazin-1-yl]carbothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[[3-methyl-4-(p-tolyl)piperazine-1-carbothioyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[3-methyl-4-(4-methylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[3-methyl-4-(4-methylphenyl)piperazine-1-carbothioyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[[3-methyl-4-(p-tolyl)piperazine-1-carbothioyl]amino]-4-phenyl-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)C)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O2S2/c1-17-10-12-21(13-11-17)29-15-14-28(16-18(29)2)26(32)27-24-23(25(30)31-4)22(19(3)33-24)20-8-6-5-7-9-20/h5-13,18H,14-16H2,1-4H3,(H,27,32)