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

Systemtic Name: 2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-[(1R)-1-phenylethyl]quinazolin-4-one Openeye Name: 2-[2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-3-[(1R)-1-phenylethyl]quinazolin-4-one CAS Name: 2-[[2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl]thio]-3-[(1R)-1-phenylethyl]-4-quinazolinone IUPAC Name: 2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-3-[(1R)-1-phenylethyl]quinazolin-4-one Traditional Name: 2-[[2-keto-2-[(3S)-3-methylpiperidino]ethyl]thio]-3-[(1R)-1-phenylethyl]quinazolin-4-one Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C(C)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2[C@H](C)C4=CC=CC=C4

InChI

InChI=1S/C24H27N3O2S/c1-17-9-8-14-26(15-17)22(28)16-30-24-25-21-13-7-6-12-20(21)23(29)27(24)18(2)19-10-4-3-5-11-19/h3-7,10-13,17-18H,8-9,14-16H2,1-2H3/t17-,18+/m0/s1