butyl 4-(2-quinazolin-4-ylsulfanylethanoylamino)benzoate

Systemtic Name: butyl 4-(2-quinazolin-4-ylsulfanylethanoylamino)benzoate Openeye Name: butyl 4-[(2-quinazolin-4-ylsulfanylacetyl)amino]benzoate CAS Name: 4-[[1-oxo-2-(4-quinazolinylthio)ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(2-quinazolin-4-ylsulfanylacetyl)amino]benzoate Traditional Name: 4-[[2-(quinazolin-4-ylthio)acetyl]amino]benzoic acid butyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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