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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)N2CCN(C(C2)C)C3=CC=C(C=C3)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)N2CCN(C(C2)C)C3=CC=C(C=C3)C)C(=O)OC

InChI

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