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

Systemtic Name: 2-[[3-(3,5-dimethylphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-naphthalen-1-yl-ethanamide Openeye Name: 2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(1-naphthyl)acetamide CAS Name: 2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]-N-(1-naphthalenyl)acetamide IUPAC Name: 2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide Traditional Name: 2-[[3-(3,5-dimethylphenyl)-4-keto-5H-pyrimid[5,4-b]indol-2-yl]thio]-N-(1-naphthyl)acetamide Formula: C30H24N4O2S MolecularWeight: 504.60216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H24N4O2S/c1-18-14-19(2)16-21(15-18)34-29(36)28-27(23-11-5-6-12-25(23)32-28)33-30(34)37-17-26(35)31-24-13-7-9-20-8-3-4-10-22(20)24/h3-16,32H,17H2,1-2H3,(H,31,35)