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

Systemtic Name: 7-(azepan-1-ylcarbonyl)-3-phenyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-(azepane-1-carbonyl)-3-phenyl-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[1-azepanyl(oxo)methyl]-3-phenyl-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-(azepane-1-carbonyl)-3-phenyl-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-(azepane-1-carbonyl)-3-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=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=CC=C4

InChI

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