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

Systemtic Name: 3-[3-(azepan-1-yl)-3-oxidanylidene-propyl]-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[3-(azepan-1-yl)-3-oxo-propyl]-6,7-diethoxy-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[3-(1-azepanyl)-3-oxopropyl]-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[3-(azepan-1-yl)-3-oxopropyl]-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[3-(azepan-1-yl)-3-keto-propyl]-6,7-diethoxy-2-thioxo-1H-quinazolin-4-one Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4S/c1-3-27-17-13-15-16(14-18(17)28-4-2)22-21(29)24(20(15)26)12-9-19(25)23-10-7-5-6-8-11-23/h13-14H,3-12H2,1-2H3,(H,22,29)