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

Systemtic Name: 3-(3-chlorophenyl)-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]sulfanyl-quinazolin-4-one Openeye Name: 2-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-3-(3-chlorophenyl)quinazolin-4-one CAS Name: 3-(3-chlorophenyl)-2-[[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]thio]-4-quinazolinone IUPAC Name: 2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]sulfanyl-3-(3-chlorophenyl)quinazolin-4-one Traditional Name: 2-[[2-(4-benzylpiperazino)-2-keto-ethyl]thio]-3-(3-chlorophenyl)quinazolin-4-one Formula: C27H25ClN4O2S MolecularWeight: 505.031

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)Cl

InChI

InChI=1S/C27H25ClN4O2S/c28-21-9-6-10-22(17-21)32-26(34)23-11-4-5-12-24(23)29-27(32)35-19-25(33)31-15-13-30(14-16-31)18-20-7-2-1-3-8-20/h1-12,17H,13-16,18-19H2