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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(4-phenoxyphenyl)quinazolin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-3-(4-phenoxyphenyl)quinazolin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-3-(4-phenoxyphenyl)-4-quinazolinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(4-phenoxyphenyl)quinazolin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-3-(4-phenoxyphenyl)quinazolin-4-one Formula: C28H27N3O3S MolecularWeight: 485.59728

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C28H27N3O3S/c32-26(30-18-8-1-2-9-19-30)20-35-28-29-25-13-7-6-12-24(25)27(33)31(28)21-14-16-23(17-15-21)34-22-10-4-3-5-11-22/h3-7,10-17H,1-2,8-9,18-20H2