4-[2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylethanoylamino]-N,N-dimethyl-benzamide

Systemtic Name: 4-[2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylethanoylamino]-N,N-dimethyl-benzamide Openeye Name: 4-[[2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylacetyl]amino]-N,N-dimethyl-benzamide CAS Name: 4-[[2-[[4-(cyclopropylamino)-2-quinazolinyl]thio]-1-oxoethyl]amino]-N,N-dimethylbenzamide IUPAC Name: 4-[[2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylacetyl]amino]-N,N-dimethylbenzamide Traditional Name: 4-[[2-[[4-(cyclopropylamino)quinazolin-2-yl]thio]acetyl]amino]-N,N-dimethyl-benzamide Formula: C22H23N5O2S MolecularWeight: 421.51532

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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(=N2)NC4CC4

Isomeric SMILES

CN(C)C(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4CC4

InChI

InChI=1S/C22H23N5O2S/c1-27(2)21(29)14-7-9-15(10-8-14)23-19(28)13-30-22-25-18-6-4-3-5-17(18)20(26-22)24-16-11-12-16/h3-10,16H,11-13H2,1-2H3,(H,23,28)(H,24,25,26)