2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-prop-2-ynyl-ethanamide Openeye Name: 2-[4-oxo-3-(p-tolylmethyl)quinazolin-2-yl]sulfanyl-N-prop-2-ynyl-acetamide CAS Name: 2-[[3-[(4-methylphenyl)methyl]-4-oxo-2-quinazolinyl]thio]-N-prop-2-ynylacetamide IUPAC Name: 2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-prop-2-ynylacetamide Traditional Name: 2-[[4-keto-3-(4-methylbenzyl)quinazolin-2-yl]thio]-N-propargyl-acetamide Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC#C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC#C

InChI

InChI=1S/C21H19N3O2S/c1-3-12-22-19(25)14-27-21-23-18-7-5-4-6-17(18)20(26)24(21)13-16-10-8-15(2)9-11-16/h1,4-11H,12-14H2,2H3,(H,22,25)