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

Systemtic Name: N-cyclooctyl-4-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)butanamide Openeye Name: N-cyclooctyl-4-(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)butanamide CAS Name: N-cyclooctyl-4-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)butanamide IUPAC Name: N-cyclooctyl-4-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)butanamide Traditional Name: N-cyclooctyl-4-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)butyramide Formula: C23H30N4O3S MolecularWeight: 442.5743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCCC(=O)NC4CCCCCCC4

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCCC(=O)NC4CCCCCCC4

InChI

InChI=1S/C23H30N4O3S/c1-30-16-11-12-18-17(14-16)20-21(25-18)22(29)27(23(31)26-20)13-7-10-19(28)24-15-8-5-3-2-4-6-9-15/h11-12,14-15,25H,2-10,13H2,1H3,(H,24,28)(H,26,31)