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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)OC)NC(=S)N3CCN(CC3)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)OC)NC(=S)N3CCN(CC3)C

InChI

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