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

Systemtic Name: ethyl 5-phenyl-2-[[4-(phenylmethyl)piperidin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-benzylpiperidine-1-carbothioyl)amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[[4-(phenylmethyl)-1-piperidinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-benzylpiperidine-1-carbothioyl)amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-benzylpiperidine-1-carbothioyl)amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H28N2O2S2 MolecularWeight: 464.64272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H28N2O2S2/c1-2-30-25(29)22-18-23(21-11-7-4-8-12-21)32-24(22)27-26(31)28-15-13-20(14-16-28)17-19-9-5-3-6-10-19/h3-12,18,20H,2,13-17H2,1H3,(H,27,31)