2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-methyl-benzo[g]quinazolin-4-one

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-methyl-benzo[g]quinazolin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-3-methyl-benzo[g]quinazolin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-3-methyl-4-benzo[g]quinazolinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-methylbenzo[g]quinazolin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-3-methyl-benzo[g]quinazolin-4-one Formula: C21H23N3O2S MolecularWeight: 381.49122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC3=CC=CC=C3C=C2N=C1SCC(=O)N4CCCCCC4

Isomeric SMILES

CN1C(=O)C2=CC3=CC=CC=C3C=C2N=C1SCC(=O)N4CCCCCC4

InChI

InChI=1S/C21H23N3O2S/c1-23-20(26)17-12-15-8-4-5-9-16(15)13-18(17)22-21(23)27-14-19(25)24-10-6-2-3-7-11-24/h4-5,8-9,12-13H,2-3,6-7,10-11,14H2,1H3