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

Systemtic Name: 4-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-phenyl-butanamide Openeye Name: 4-(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-phenyl-butanamide CAS Name: 4-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-phenylbutanamide IUPAC Name: 4-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-phenylbutanamide Traditional Name: 4-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)-N-phenyl-butyramide Formula: C21H20N4O3S MolecularWeight: 408.4735

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O3S/c1-28-14-9-10-16-15(12-14)18-19(23-16)20(27)25(21(29)24-18)11-5-8-17(26)22-13-6-3-2-4-7-13/h2-4,6-7,9-10,12,23H,5,8,11H2,1H3,(H,22,26)(H,24,29)