4-[2-[7-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzamide

Systemtic Name: 4-[2-[7-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzamide Openeye Name: 4-[[2-(7-chloro-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]benzamide CAS Name: 4-[[2-[[7-chloro-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[7-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzamide Traditional Name: 4-[[2-[(7-chloro-3-isobutyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]benzamide Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C21H21ClN4O3S/c1-12(2)10-26-20(29)16-8-5-14(22)9-17(16)25-21(26)30-11-18(27)24-15-6-3-13(4-7-15)19(23)28/h3-9,12H,10-11H2,1-2H3,(H2,23,28)(H,24,27)