N-[5-[2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]-2-oxidanyl-phenyl]ethanamide

Systemtic Name: N-[5-[2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]-2-oxidanyl-phenyl]ethanamide Openeye Name: N-[5-[2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-2-hydroxy-phenyl]acetamide CAS Name: N-[5-[2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]-2-hydroxyphenyl]acetamide IUPAC Name: N-[5-[2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-2-hydroxyphenyl]acetamide Traditional Name: N-[5-[2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]acetyl]-2-hydroxy-phenyl]acetamide Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CC4)O

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CC4)O

InChI

InChI=1S/C21H19N3O4S/c1-12(25)22-17-10-13(6-9-18(17)26)19(27)11-29-21-23-16-5-3-2-4-15(16)20(28)24(21)14-7-8-14/h2-6,9-10,14,26H,7-8,11H2,1H3,(H,22,25)