3-[4-(azepan-1-ylcarbonyl)phenyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[4-(azepan-1-ylcarbonyl)phenyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[4-(azepane-1-carbonyl)phenyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[4-[1-azepanyl(oxo)methyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[4-(azepane-1-carbonyl)phenyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[4-(azepane-1-carbonyl)phenyl]-2-thioxo-1H-quinazolin-4-one Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C21H21N3O2S/c25-19(23-13-5-1-2-6-14-23)15-9-11-16(12-10-15)24-20(26)17-7-3-4-8-18(17)22-21(24)27/h3-4,7-12H,1-2,5-6,13-14H2,(H,22,27)