2-[[3-(4-methylphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-naphthalen-1-yl-ethanamide

Systemtic Name: 2-[[3-(4-methylphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-naphthalen-1-yl-ethanamide Openeye Name: N-(1-naphthyl)-2-[[4-oxo-3-(p-tolyl)-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide CAS Name: 2-[[3-(4-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]-N-(1-naphthalenyl)acetamide IUPAC Name: 2-[[3-(4-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide Traditional Name: 2-[[4-keto-3-(p-tolyl)-5H-pyrimid[5,4-b]indol-2-yl]thio]-N-(1-naphthyl)acetamide Formula: C29H22N4O2S MolecularWeight: 490.57558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NC5=CC=CC6=CC=CC=C65

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C29H22N4O2S/c1-18-13-15-20(16-14-18)33-28(35)27-26(22-10-4-5-11-24(22)31-27)32-29(33)36-17-25(34)30-23-12-6-8-19-7-2-3-9-21(19)23/h2-16,31H,17H2,1H3,(H,30,34)