N-(5-acetamido-2-methoxy-phenyl)-2-(4-phenylazanylquinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(5-acetamido-2-methoxy-phenyl)-2-(4-phenylazanylquinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(5-acetamido-2-methoxy-phenyl)-2-(4-anilinoquinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(5-acetamido-2-methoxyphenyl)-2-[(4-anilino-2-quinazolinyl)thio]acetamide IUPAC Name: N-(5-acetamido-2-methoxyphenyl)-2-(4-anilinoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(5-acetamido-2-methoxy-phenyl)-2-[(4-anilinoquinazolin-2-yl)thio]acetamide Formula: C25H23N5O3S MolecularWeight: 473.54682

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4

InChI

InChI=1S/C25H23N5O3S/c1-16(31)26-18-12-13-22(33-2)21(14-18)28-23(32)15-34-25-29-20-11-7-6-10-19(20)24(30-25)27-17-8-4-3-5-9-17/h3-14H,15H2,1-2H3,(H,26,31)(H,28,32)(H,27,29,30)