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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C28H27N3O3S/c1-20-8-7-17-30(18-20)26(32)19-35-28-29-25-12-6-5-11-24(25)27(33)31(28)21-13-15-23(16-14-21)34-22-9-3-2-4-10-22/h2-6,9-16,20H,7-8,17-19H2,1H3/t20-/m0/s1