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

Systemtic Name: 2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 2-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-benzyl-2-[[2-keto-2-(4-methylpiperidino)ethyl]thio]quinazolin-4-one Formula: C23H25N3O2S MolecularWeight: 407.5285

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O2S/c1-17-11-13-25(14-12-17)21(27)16-29-23-24-20-10-6-5-9-19(20)22(28)26(23)15-18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3