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

Systemtic Name: ethyl 5-phenyl-2-[(4-phenylpiperazin-1-yl)carbothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C24H25N3O2S2 MolecularWeight: 451.6042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O2S2/c1-2-29-23(28)20-17-21(18-9-5-3-6-10-18)31-22(20)25-24(30)27-15-13-26(14-16-27)19-11-7-4-8-12-19/h3-12,17H,2,13-16H2,1H3,(H,25,30)