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

Systemtic Name: methyl 4-ethyl-5-methyl-2-[[3-methyl-4-(4-methylphenyl)piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-5-methyl-2-[[3-methyl-4-(p-tolyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[[3-methyl-4-(4-methylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-[[3-methyl-4-(4-methylphenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[[3-methyl-4-(p-tolyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C22H29N3O2S2 MolecularWeight: 431.61456

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(C(C2)C)C3=CC=C(C=C3)C)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(C(C2)C)C3=CC=C(C=C3)C)C

InChI

InChI=1S/C22H29N3O2S2/c1-6-18-16(4)29-20(19(18)21(26)27-5)23-22(28)24-11-12-25(15(3)13-24)17-9-7-14(2)8-10-17/h7-10,15H,6,11-13H2,1-5H3,(H,23,28)