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

Systemtic Name: N-(2,3-dimethylcyclohexyl)-4-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)butanamide Openeye Name: N-(2,3-dimethylcyclohexyl)-4-(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)butanamide CAS Name: N-(2,3-dimethylcyclohexyl)-4-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)butanamide IUPAC Name: N-(2,3-dimethylcyclohexyl)-4-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)butanamide Traditional Name: N-(2,3-dimethylcyclohexyl)-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:

CC1CCCC(C1C)NC(=O)CCCN2C(=O)C3=C(C4=C(N3)C=CC(=C4)OC)NC2=S

Isomeric SMILES

CC1CCCC(C1C)NC(=O)CCCN2C(=O)C3=C(C4=C(N3)C=CC(=C4)OC)NC2=S

InChI

InChI=1S/C23H30N4O3S/c1-13-6-4-7-17(14(13)2)24-19(28)8-5-11-27-22(29)21-20(26-23(27)31)16-12-15(30-3)9-10-18(16)25-21/h9-10,12-14,17,25H,4-8,11H2,1-3H3,(H,24,28)(H,26,31)