butyl 4-[2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]benzoic acid butyl ester Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CC4

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CC4

InChI

InChI=1S/C24H25N3O4S/c1-2-3-14-31-23(30)16-8-10-17(11-9-16)25-21(28)15-32-24-26-20-7-5-4-6-19(20)22(29)27(24)18-12-13-18/h4-11,18H,2-3,12-15H2,1H3,(H,25,28)