2-[3-(4-butan-2-ylphenyl)-6-chloranyl-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-[3-(4-butan-2-ylphenyl)-6-chloranyl-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-prop-2-ynyl-ethanamide Openeye Name: 2-[6-chloro-4-oxo-3-(4-sec-butylphenyl)quinazolin-2-yl]sulfanyl-N-prop-2-ynyl-acetamide CAS Name: 2-[[3-(4-butan-2-ylphenyl)-6-chloro-4-oxo-2-quinazolinyl]thio]-N-prop-2-ynylacetamide IUPAC Name: 2-[3-(4-butan-2-ylphenyl)-6-chloro-4-oxoquinazolin-2-yl]sulfanyl-N-prop-2-ynylacetamide Traditional Name: 2-[[6-chloro-4-keto-3-(4-sec-butylphenyl)quinazolin-2-yl]thio]-N-propargyl-acetamide Formula: C23H22ClN3O2S MolecularWeight: 439.95768

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Cl)N=C2SCC(=O)NCC#C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Cl)N=C2SCC(=O)NCC#C

InChI

InChI=1S/C23H22ClN3O2S/c1-4-12-25-21(28)14-30-23-26-20-11-8-17(24)13-19(20)22(29)27(23)18-9-6-16(7-10-18)15(3)5-2/h1,6-11,13,15H,5,12,14H2,2-3H3,(H,25,28)