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

Systemtic Name: 3-(3,4-dichlorophenyl)-2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(3,4-dichlorophenyl)-2-[2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3,4-dichlorophenyl)-2-[[2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-(3,4-dichlorophenyl)-2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-(3,4-dichlorophenyl)-2-[[2-keto-2-[(3S)-3-methylpiperidino]ethyl]thio]quinazolin-4-one Formula: C22H21Cl2N3O2S MolecularWeight: 462.39204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21Cl2N3O2S/c1-14-5-4-10-26(12-14)20(28)13-30-22-25-19-7-3-2-6-16(19)21(29)27(22)15-8-9-17(23)18(24)11-15/h2-3,6-9,11,14H,4-5,10,12-13H2,1H3/t14-/m0/s1