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

Systemtic Name: N-cyclohexyl-4-[(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)methyl]benzamide Openeye Name: N-cyclohexyl-4-[(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)methyl]benzamide CAS Name: N-cyclohexyl-4-[(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)methyl]benzamide IUPAC Name: N-cyclohexyl-4-[(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)methyl]benzamide Traditional Name: N-cyclohexyl-4-[(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)methyl]benzamide Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CC4=CC=C(C=C4)C(=O)NC5CCCCC5

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CC4=CC=C(C=C4)C(=O)NC5CCCCC5

InChI

InChI=1S/C25H26N4O3S/c1-32-18-11-12-20-19(13-18)21-22(27-20)24(31)29(25(33)28-21)14-15-7-9-16(10-8-15)23(30)26-17-5-3-2-4-6-17/h7-13,17,27H,2-6,14H2,1H3,(H,26,30)(H,28,33)