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

Systemtic Name: 3-[3-(azepan-1-ium-1-yl)propyl]-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[3-(azepan-1-ium-1-yl)propyl]-6,7-diethoxy-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[3-(1-azepan-1-iumyl)propyl]-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[3-(azepan-1-ium-1-yl)propyl]-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[3-(azepan-1-ium-1-yl)propyl]-6,7-diethoxy-2-thioxo-1H-quinazolin-4-one Formula: C21H32N3O3S+ MolecularWeight: 406.56208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCC[NH+]3CCCCCC3)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCC[NH+]3CCCCCC3)OCC

InChI

InChI=1S/C21H31N3O3S/c1-3-26-18-14-16-17(15-19(18)27-4-2)22-21(28)24(20(16)25)13-9-12-23-10-7-5-6-8-11-23/h14-15H,3-13H2,1-2H3,(H,22,28)/p+1