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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O2S2/c1-2-30-24(29)22-18-21(17-19-9-5-3-6-10-19)32-23(22)26-25(31)28-15-13-27(14-16-28)20-11-7-4-8-12-20/h3-12,18H,2,13-17H2,1H3,(H,26,31)