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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O2S/c1-17-8-7-13-25(14-17)21(27)16-29-23-24-20-12-6-5-11-19(20)22(28)26(23)15-18-9-3-2-4-10-18/h2-6,9-12,17H,7-8,13-16H2,1H3/t17-/m0/s1