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

Systemtic Name: 2-[[3-(3,5-dimethylphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[3-(3,5-dimethylphenyl)-4-keto-5H-pyrimid[5,4-b]indol-2-yl]thio]-N-phenethyl-acetamide Formula: C28H26N4O2S MolecularWeight: 482.59664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NCCC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NCCC5=CC=CC=C5)C

InChI

InChI=1S/C28H26N4O2S/c1-18-14-19(2)16-21(15-18)32-27(34)26-25(22-10-6-7-11-23(22)30-26)31-28(32)35-17-24(33)29-13-12-20-8-4-3-5-9-20/h3-11,14-16,30H,12-13,17H2,1-2H3,(H,29,33)