7-(azepan-1-ylcarbonyl)-3-(2-methoxyethyl)-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-(azepan-1-ylcarbonyl)-3-(2-methoxyethyl)-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-(azepane-1-carbonyl)-3-(2-methoxyethyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[1-azepanyl(oxo)methyl]-3-(2-methoxyethyl)-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-(azepane-1-carbonyl)-3-(2-methoxyethyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-(azepane-1-carbonyl)-3-(2-methoxyethyl)-2-thioxo-1H-quinazolin-4-one Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCCCCC3)NC1=S

Isomeric SMILES

COCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCCCCC3)NC1=S

InChI

InChI=1S/C18H23N3O3S/c1-24-11-10-21-17(23)14-7-6-13(12-15(14)19-18(21)25)16(22)20-8-4-2-3-5-9-20/h6-7,12H,2-5,8-11H2,1H3,(H,19,25)