1-[2-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-phenyl-ethanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-phenyl-ethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[3-(3-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-2-phenyl-acetyl]piperidine-4-carboxamide CAS Name: 1-[2-[[3-(3-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-1-oxo-2-phenylethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetyl]piperidine-4-carboxamide Traditional Name: 1-[2-[[3-(3-chlorophenyl)-4-keto-quinazolin-2-yl]thio]-2-phenyl-acetyl]isonipecotamide Formula: C28H25ClN4O3S MolecularWeight: 533.0411

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=O)C(C2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)C(C2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)Cl

InChI

InChI=1S/C28H25ClN4O3S/c29-20-9-6-10-21(17-20)33-26(35)22-11-4-5-12-23(22)31-28(33)37-24(18-7-2-1-3-8-18)27(36)32-15-13-19(14-16-32)25(30)34/h1-12,17,19,24H,13-16H2,(H2,30,34)