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

Systemtic Name: 4-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(1-phenylethyl)butanamide Openeye Name: 4-(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(1-phenylethyl)butanamide CAS Name: 4-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(1-phenylethyl)butanamide IUPAC Name: 4-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(1-phenylethyl)butanamide Traditional Name: 4-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)-N-(1-phenylethyl)butyramide Formula: C23H24N4O3S MolecularWeight: 436.52666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O3S/c1-14(15-7-4-3-5-8-15)24-19(28)9-6-12-27-22(29)21-20(26-23(27)31)17-13-16(30-2)10-11-18(17)25-21/h3-5,7-8,10-11,13-14,25H,6,9,12H2,1-2H3,(H,24,28)(H,26,31)