2-[2-(4-phenylazanylquinazolin-2-yl)sulfanylethanoylamino]-N-propyl-ethanamide

Systemtic Name: 2-[2-(4-phenylazanylquinazolin-2-yl)sulfanylethanoylamino]-N-propyl-ethanamide Openeye Name: 2-[[2-(4-anilinoquinazolin-2-yl)sulfanylacetyl]amino]-N-propyl-acetamide CAS Name: 2-[[2-[(4-anilino-2-quinazolinyl)thio]-1-oxoethyl]amino]-N-propylacetamide IUPAC Name: 2-[[2-(4-anilinoquinazolin-2-yl)sulfanylacetyl]amino]-N-propylacetamide Traditional Name: 2-[[2-[(4-anilinoquinazolin-2-yl)thio]acetyl]amino]-N-propyl-acetamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CNC(=O)CSC1=NC2=CC=CC=C2C(=N1)NC3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)CNC(=O)CSC1=NC2=CC=CC=C2C(=N1)NC3=CC=CC=C3

InChI

InChI=1S/C21H23N5O2S/c1-2-12-22-18(27)13-23-19(28)14-29-21-25-17-11-7-6-10-16(17)20(26-21)24-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,22,27)(H,23,28)(H,24,25,26)