2-[2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(phenylmethyl)-6-piperidin-1-yl-quinazolin-4-one

Systemtic Name: 2-[2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(phenylmethyl)-6-piperidin-1-yl-quinazolin-4-one Openeye Name: 3-benzyl-2-[2-(3,4-dichlorophenyl)-2-oxo-ethyl]sulfanyl-6-(1-piperidyl)quinazolin-4-one CAS Name: 2-[[2-(3,4-dichlorophenyl)-2-oxoethyl]thio]-3-(phenylmethyl)-6-(1-piperidinyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-6-piperidin-1-ylquinazolin-4-one Traditional Name: 3-benzyl-2-[[2-(3,4-dichlorophenyl)-2-keto-ethyl]thio]-6-piperidino-quinazolin-4-one Formula: C28H25Cl2N3O2S MolecularWeight: 538.488

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC=CC=C4)SCC(=O)C5=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

C1CCN(CC1)C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC=CC=C4)SCC(=O)C5=CC(=C(C=C5)Cl)Cl

InChI

InChI=1S/C28H25Cl2N3O2S/c29-23-11-9-20(15-24(23)30)26(34)18-36-28-31-25-12-10-21(32-13-5-2-6-14-32)16-22(25)27(35)33(28)17-19-7-3-1-4-8-19/h1,3-4,7-12,15-16H,2,5-6,13-14,17-18H2