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

Systemtic Name: 2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-(3-phenylpropyl)quinazolin-4-one Openeye Name: 2-[2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-3-(3-phenylpropyl)quinazolin-4-one CAS Name: 2-[[2-[(2S)-2-methyl-1-piperidinyl]-2-oxoethyl]thio]-3-(3-phenylpropyl)-4-quinazolinone IUPAC Name: 2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-3-(3-phenylpropyl)quinazolin-4-one Traditional Name: 2-[[2-keto-2-[(2S)-2-methylpiperidino]ethyl]thio]-3-(3-phenylpropyl)quinazolin-4-one Formula: C25H29N3O2S MolecularWeight: 435.58166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCCCN1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O2S/c1-19-10-7-8-16-27(19)23(29)18-31-25-26-22-15-6-5-14-21(22)24(30)28(25)17-9-13-20-11-3-2-4-12-20/h2-6,11-12,14-15,19H,7-10,13,16-18H2,1H3/t19-/m0/s1