3-(azepan-1-ylcarbonyl)-7,8-dimethoxy-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazolin-5-one

Systemtic Name: 3-(azepan-1-ylcarbonyl)-7,8-dimethoxy-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazolin-5-one Openeye Name: 3-(azepane-1-carbonyl)-7,8-dimethoxy-1-thioxo-4H-thiazolo[3,4-a]quinazolin-5-one CAS Name: 3-[1-azepanyl(oxo)methyl]-7,8-dimethoxy-1-sulfanylidene-4H-thiazolo[3,4-a]quinazolin-5-one IUPAC Name: 3-(azepane-1-carbonyl)-7,8-dimethoxy-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazolin-5-one Traditional Name: 3-(azepane-1-carbonyl)-7,8-dimethoxy-1-thioxo-4H-thiazolo[3,4-a]quinazolin-5-one Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)NC3=C(SC(=S)N23)C(=O)N4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)NC3=C(SC(=S)N23)C(=O)N4CCCCCC4)OC

InChI

InChI=1S/C19H21N3O4S2/c1-25-13-9-11-12(10-14(13)26-2)22-16(20-17(11)23)15(28-19(22)27)18(24)21-7-5-3-4-6-8-21/h9-10H,3-8H2,1-2H3,(H,20,23)