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

Systemtic Name: methyl 4,5-dimethyl-2-[[3-methyl-4-(4-methylphenyl)piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[[3-methyl-4-(p-tolyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[3-methyl-4-(4-methylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[[3-methyl-4-(4-methylphenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[3-methyl-4-(p-tolyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C21H27N3O2S2 MolecularWeight: 417.58798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2S2/c1-13-6-8-17(9-7-13)24-11-10-23(12-14(24)2)21(27)22-19-18(20(25)26-5)15(3)16(4)28-19/h6-9,14H,10-12H2,1-5H3,(H,22,27)