3-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[4-[2-(azepan-1-yl)-2-oxo-ethyl]phenyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[4-[2-(1-azepanyl)-2-oxoethyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[4-[2-(azepan-1-yl)-2-oxoethyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[4-[2-(azepan-1-yl)-2-keto-ethyl]phenyl]-2-thioxo-1H-quinazolin-4-one Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CCCN(CC1)C(=O)CC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C22H23N3O2S/c26-20(24-13-5-1-2-6-14-24)15-16-9-11-17(12-10-16)25-21(27)18-7-3-4-8-19(18)23-22(25)28/h3-4,7-12H,1-2,5-6,13-15H2,(H,23,28)