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

Systemtic Name: N-cycloheptyl-4-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)butanamide Openeye Name: N-cycloheptyl-4-(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)butanamide CAS Name: N-cycloheptyl-4-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)butanamide IUPAC Name: N-cycloheptyl-4-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)butanamide Traditional Name: N-cycloheptyl-4-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)butyramide Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCCC(=O)NC4CCCCCC4

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCCC(=O)NC4CCCCCC4

InChI

InChI=1S/C22H28N4O3S/c1-29-15-10-11-17-16(13-15)19-20(24-17)21(28)26(22(30)25-19)12-6-9-18(27)23-14-7-4-2-3-5-8-14/h10-11,13-14,24H,2-9,12H2,1H3,(H,23,27)(H,25,30)