3-[[4-(azepan-1-ylcarbonyl)phenyl]methyl]-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[[4-(azepan-1-ylcarbonyl)phenyl]methyl]-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[[4-(azepane-1-carbonyl)phenyl]methyl]-6,7-diethoxy-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[[4-[1-azepanyl(oxo)methyl]phenyl]methyl]-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[[4-(azepane-1-carbonyl)phenyl]methyl]-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[4-(azepane-1-carbonyl)benzyl]-6,7-diethoxy-2-thioxo-1H-quinazolin-4-one Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)N4CCCCCC4)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)N4CCCCCC4)OCC

InChI

InChI=1S/C26H31N3O4S/c1-3-32-22-15-20-21(16-23(22)33-4-2)27-26(34)29(25(20)31)17-18-9-11-19(12-10-18)24(30)28-13-7-5-6-8-14-28/h9-12,15-16H,3-8,13-14,17H2,1-2H3,(H,27,34)