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

Systemtic Name: 2-[[3-(2-methylphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-propyl-ethanamide Openeye Name: 2-[[3-(o-tolyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-propyl-acetamide CAS Name: 2-[[3-(2-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]-N-propylacetamide IUPAC Name: 2-[[3-(2-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-propylacetamide Traditional Name: 2-[[4-keto-3-(o-tolyl)-5H-pyrimid[5,4-b]indol-2-yl]thio]-N-propyl-acetamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NC2=C(C(=O)N1C3=CC=CC=C3C)NC4=CC=CC=C42

Isomeric SMILES

CCCNC(=O)CSC1=NC2=C(C(=O)N1C3=CC=CC=C3C)NC4=CC=CC=C42

InChI

InChI=1S/C22H22N4O2S/c1-3-12-23-18(27)13-29-22-25-19-15-9-5-6-10-16(15)24-20(19)21(28)26(22)17-11-7-4-8-14(17)2/h4-11,24H,3,12-13H2,1-2H3,(H,23,27)