3-[5-(azepan-1-yl)-5-oxidanylidene-pentyl]-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[5-(azepan-1-yl)-5-oxidanylidene-pentyl]-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[5-(azepan-1-yl)-5-oxo-pentyl]-6,7-diethoxy-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[5-(1-azepanyl)-5-oxopentyl]-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[5-(azepan-1-yl)-5-oxopentyl]-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[5-(azepan-1-yl)-5-keto-pentyl]-6,7-diethoxy-2-thioxo-1H-quinazolin-4-one Formula: C23H33N3O4S MolecularWeight: 447.59082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O4S/c1-3-29-19-15-17-18(16-20(19)30-4-2)24-23(31)26(22(17)28)14-10-7-11-21(27)25-12-8-5-6-9-13-25/h15-16H,3-14H2,1-2H3,(H,24,31)