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

Systemtic Name: ethyl 2-[(4-methylpiperazin-1-yl)carbothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-methylpiperazine-1-carbothioyl)amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(4-methyl-1-piperazinyl)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-methylpiperazine-1-carbothioyl)amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-methylpiperazine-1-carbothioyl)amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H23N3O2S2 MolecularWeight: 389.53482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O2S2/c1-3-24-18(23)15-13-16(14-7-5-4-6-8-14)26-17(15)20-19(25)22-11-9-21(2)10-12-22/h4-8,13H,3,9-12H2,1-2H3,(H,20,25)