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

Systemtic Name: 4-[(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)methyl]-N-(2-methylcyclohexyl)benzamide Openeye Name: 4-[(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)methyl]-N-(2-methylcyclohexyl)benzamide CAS Name: 4-[(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)methyl]-N-(2-methylcyclohexyl)benzamide IUPAC Name: 4-[(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)methyl]-N-(2-methylcyclohexyl)benzamide Traditional Name: 4-[(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)methyl]-N-(2-methylcyclohexyl)benzamide Formula: C26H28N4O3S MolecularWeight: 476.59052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C5=C(N4)C=CC(=C5)OC)NC3=S

Isomeric SMILES

CC1CCCCC1NC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C5=C(N4)C=CC(=C5)OC)NC3=S

InChI

InChI=1S/C26H28N4O3S/c1-15-5-3-4-6-20(15)28-24(31)17-9-7-16(8-10-17)14-30-25(32)23-22(29-26(30)34)19-13-18(33-2)11-12-21(19)27-23/h7-13,15,20,27H,3-6,14H2,1-2H3,(H,28,31)(H,29,34)