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

Systemtic Name: ethyl 5-methyl-4-phenyl-2-[(4-phenylpiperazin-1-yl)carbothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-4-phenyl-2-[(4-phenylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[(4-phenyl-1-piperazinyl)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-phenyl-2-[(4-phenylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-[(4-phenylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C25H27N3O2S2 MolecularWeight: 465.63078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O2S2/c1-3-30-24(29)22-21(19-10-6-4-7-11-19)18(2)32-23(22)26-25(31)28-16-14-27(15-17-28)20-12-8-5-9-13-20/h4-13H,3,14-17H2,1-2H3,(H,26,31)