3-[4-(azepan-1-yl)-4-oxidanylidene-butyl]-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[4-(azepan-1-yl)-4-oxidanylidene-butyl]-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[4-(azepan-1-yl)-4-oxo-butyl]-6,7-diethoxy-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[4-(1-azepanyl)-4-oxobutyl]-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[4-(azepan-1-yl)-4-oxobutyl]-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[4-(azepan-1-yl)-4-keto-butyl]-6,7-diethoxy-2-thioxo-1H-quinazolin-4-one Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCCC(=O)N3CCCCCC3)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCCC(=O)N3CCCCCC3)OCC

InChI

InChI=1S/C22H31N3O4S/c1-3-28-18-14-16-17(15-19(18)29-4-2)23-22(30)25(21(16)27)13-9-10-20(26)24-11-7-5-6-8-12-24/h14-15H,3-13H2,1-2H3,(H,23,30)