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

Systemtic Name: methyl 5-ethyl-2-[[4-(3-methoxyphenyl)piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[[4-(3-methoxyphenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[4-(3-methoxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[[4-(3-methoxyphenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[4-(3-methoxyphenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)OC)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)OC)C(=O)OC

InChI

InChI=1S/C20H25N3O3S2/c1-4-16-13-17(19(24)26-3)18(28-16)21-20(27)23-10-8-22(9-11-23)14-6-5-7-15(12-14)25-2/h5-7,12-13H,4,8-11H2,1-3H3,(H,21,27)