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

Systemtic Name: N-(4-fluorophenyl)-4-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)butanamide Openeye Name: N-(4-fluorophenyl)-4-(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)butanamide CAS Name: N-(4-fluorophenyl)-4-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)butanamide IUPAC Name: N-(4-fluorophenyl)-4-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)butanamide Traditional Name: N-(4-fluorophenyl)-4-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)butyramide Formula: C21H19FN4O3S MolecularWeight: 426.463963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCCC(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCCC(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C21H19FN4O3S/c1-29-14-8-9-16-15(11-14)18-19(24-16)20(28)26(21(30)25-18)10-2-3-17(27)23-13-6-4-12(22)5-7-13/h4-9,11,24H,2-3,10H2,1H3,(H,23,27)(H,25,30)