1-[2-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[3-(3-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]piperidine-4-carboxamide CAS Name: 1-[2-[[3-(3-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-4-carboxamide Traditional Name: 1-[2-[[3-(3-chlorophenyl)-4-keto-quinazolin-2-yl]thio]acetyl]isonipecotamide Formula: C22H21ClN4O3S MolecularWeight: 456.94514

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H21ClN4O3S/c23-15-4-3-5-16(12-15)27-21(30)17-6-1-2-7-18(17)25-22(27)31-13-19(28)26-10-8-14(9-11-26)20(24)29/h1-7,12,14H,8-11,13H2,(H2,24,29)