propyl 4-[2-(2-methylquinazolin-4-yl)sulfanylethanoylamino]benzoate

Systemtic Name: propyl 4-[2-(2-methylquinazolin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: propyl 4-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(2-methyl-4-quinazolinyl)thio]-1-oxoethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(2-methylquinazolin-4-yl)thio]acetyl]amino]benzoic acid propyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C

InChI

InChI=1S/C21H21N3O3S/c1-3-12-27-21(26)15-8-10-16(11-9-15)24-19(25)13-28-20-17-6-4-5-7-18(17)22-14(2)23-20/h4-11H,3,12-13H2,1-2H3,(H,24,25)