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

Systemtic Name: 2-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-ethyl-benzo[g]quinazolin-4-one Openeye Name: 2-[2-(azocan-1-yl)-2-oxo-ethyl]sulfanyl-3-ethyl-benzo[g]quinazolin-4-one CAS Name: 2-[[2-(1-azocanyl)-2-oxoethyl]thio]-3-ethyl-4-benzo[g]quinazolinone IUPAC Name: 2-[2-(azocan-1-yl)-2-oxoethyl]sulfanyl-3-ethylbenzo[g]quinazolin-4-one Traditional Name: 2-[[2-(azocan-1-yl)-2-keto-ethyl]thio]-3-ethyl-benzo[g]quinazolin-4-one Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC3=CC=CC=C3C=C2N=C1SCC(=O)N4CCCCCCC4

Isomeric SMILES

CCN1C(=O)C2=CC3=CC=CC=C3C=C2N=C1SCC(=O)N4CCCCCCC4

InChI

InChI=1S/C23H27N3O2S/c1-2-26-22(28)19-14-17-10-6-7-11-18(17)15-20(19)24-23(26)29-16-21(27)25-12-8-4-3-5-9-13-25/h6-7,10-11,14-15H,2-5,8-9,12-13,16H2,1H3