methyl 5-phenyl-2-[(4-phenylpiperazin-1-yl)carbothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-phenyl-2-[(4-phenylpiperazin-1-yl)carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-phenyl-2-[(4-phenylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[(4-phenyl-1-piperazinyl)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-phenyl-2-[(4-phenylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate Traditional Name: 5-phenyl-2-[(4-phenylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C23H23N3O2S2 MolecularWeight: 437.57762

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H23N3O2S2/c1-28-22(27)19-16-20(17-8-4-2-5-9-17)30-21(19)24-23(29)26-14-12-25(13-15-26)18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3,(H,24,29)