N,N-dimethyl-4-[2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoylamino]benzamide

Systemtic Name: N,N-dimethyl-4-[2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoylamino]benzamide Openeye Name: 4-[[2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-N,N-dimethyl-benzamide CAS Name: N,N-dimethyl-4-[[1-oxo-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]ethyl]amino]benzamide IUPAC Name: N,N-dimethyl-4-[[2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]amino]benzamide Traditional Name: 4-[[2-[(3-allyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]-N,N-dimethyl-benzamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C

Isomeric SMILES

CN(C)C(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C

InChI

InChI=1S/C22H22N4O3S/c1-4-13-26-21(29)17-7-5-6-8-18(17)24-22(26)30-14-19(27)23-16-11-9-15(10-12-16)20(28)25(2)3/h4-12H,1,13-14H2,2-3H3,(H,23,27)