3-[[4-(azepan-1-ylcarbonyl)phenyl]methyl]-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one

Systemtic Name: 3-[[4-(azepan-1-ylcarbonyl)phenyl]methyl]-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Openeye Name: 3-[[4-(azepane-1-carbonyl)phenyl]methyl]-8-methoxy-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-4-one CAS Name: 3-[[4-[1-azepanyl(oxo)methyl]phenyl]methyl]-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one IUPAC Name: 3-[[4-(azepane-1-carbonyl)phenyl]methyl]-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Traditional Name: 3-[4-(azepane-1-carbonyl)benzyl]-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-4-one 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)N5CCCCCC5

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CC4=CC=C(C=C4)C(=O)N5CCCCCC5

InChI

InChI=1S/C25H26N4O3S/c1-32-18-10-11-20-19(14-18)21-22(26-20)24(31)29(25(33)27-21)15-16-6-8-17(9-7-16)23(30)28-12-4-2-3-5-13-28/h6-11,14,26H,2-5,12-13,15H2,1H3,(H,27,33)