1-[2-[3-(2,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[3-(2,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[3-(2,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]piperidine-4-carboxamide CAS Name: 1-[2-[[3-(2,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-4-carboxamide Traditional Name: 1-[2-[[3-(2,5-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]acetyl]isonipecotamide Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCC(CC4)C(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCC(CC4)C(=O)N

InChI

InChI=1S/C24H26N4O3S/c1-15-7-8-16(2)20(13-15)28-23(31)18-5-3-4-6-19(18)26-24(28)32-14-21(29)27-11-9-17(10-12-27)22(25)30/h3-8,13,17H,9-12,14H2,1-2H3,(H2,25,30)