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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)CCN2C(=O)C3=C(C4=C(N3)C=CC(=C4)OC)NC2=S

Isomeric SMILES

CC1CCCC(C1C)NC(=O)CCN2C(=O)C3=C(C4=C(N3)C=CC(=C4)OC)NC2=S

InChI

InChI=1S/C22H28N4O3S/c1-12-5-4-6-16(13(12)2)23-18(27)9-10-26-21(28)20-19(25-22(26)30)15-11-14(29-3)7-8-17(15)24-20/h7-8,11-13,16,24H,4-6,9-10H2,1-3H3,(H,23,27)(H,25,30)