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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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