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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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