2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(4-butan-2-ylphenyl)-7-chloranyl-quinazolin-4-one

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(4-butan-2-ylphenyl)-7-chloranyl-quinazolin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-7-chloro-3-(4-sec-butylphenyl)quinazolin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-3-(4-butan-2-ylphenyl)-7-chloro-4-quinazolinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(4-butan-2-ylphenyl)-7-chloroquinazolin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-7-chloro-3-(4-sec-butylphenyl)quinazolin-4-one Formula: C26H30ClN3O2S MolecularWeight: 484.0533

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)N4CCCCCC4

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)N4CCCCCC4

InChI

InChI=1S/C26H30ClN3O2S/c1-3-18(2)19-8-11-21(12-9-19)30-25(32)22-13-10-20(27)16-23(22)28-26(30)33-17-24(31)29-14-6-4-5-7-15-29/h8-13,16,18H,3-7,14-15,17H2,1-2H3