4-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(4-methylphenyl)butanamide

Systemtic Name: 4-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(4-methylphenyl)butanamide Openeye Name: 4-(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(p-tolyl)butanamide CAS Name: 4-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(4-methylphenyl)butanamide IUPAC Name: 4-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(4-methylphenyl)butanamide Traditional Name: 4-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)-N-(p-tolyl)butyramide Formula: C22H22N4O3S MolecularWeight: 422.50008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CCCN2C(=O)C3=C(C4=C(N3)C=CC(=C4)OC)NC2=S

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CCCN2C(=O)C3=C(C4=C(N3)C=CC(=C4)OC)NC2=S

InChI

InChI=1S/C22H22N4O3S/c1-13-5-7-14(8-6-13)23-18(27)4-3-11-26-21(28)20-19(25-22(26)30)16-12-15(29-2)9-10-17(16)24-20/h5-10,12,24H,3-4,11H2,1-2H3,(H,23,27)(H,25,30)