7-(azepan-1-ylcarbonyl)-3-[2-(cyclohexen-1-yl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-(azepan-1-ylcarbonyl)-3-[2-(cyclohexen-1-yl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-(azepane-1-carbonyl)-3-[2-(cyclohexen-1-yl)ethyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[1-azepanyl(oxo)methyl]-3-[2-(1-cyclohexenyl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-(azepane-1-carbonyl)-3-[2-(cyclohexen-1-yl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-(azepane-1-carbonyl)-3-[2-(cyclohexen-1-yl)ethyl]-2-thioxo-1H-quinazolin-4-one Formula: C23H29N3O2S MolecularWeight: 411.56026

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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)CCC4=CCCCC4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCC4=CCCCC4

InChI

InChI=1S/C23H29N3O2S/c27-21(25-13-6-1-2-7-14-25)18-10-11-19-20(16-18)24-23(29)26(22(19)28)15-12-17-8-4-3-5-9-17/h8,10-11,16H,1-7,9,12-15H2,(H,24,29)