propan-2-yl 4-(4-phenoxybutanoylcarbamothioylamino)benzoate

Systemtic Name: propan-2-yl 4-(4-phenoxybutanoylcarbamothioylamino)benzoate Openeye Name: isopropyl 4-(4-phenoxybutanoylcarbamothioylamino)benzoate CAS Name: 4-[[[(1-oxo-4-phenoxybutyl)amino]-sulfanylidenemethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(4-phenoxybutanoylcarbamothioylamino)benzoate Traditional Name: 4-(4-phenoxybutanoylthiocarbamoylamino)benzoic acid isopropyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCCOC2=CC=CC=C2

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCCOC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O4S/c1-15(2)27-20(25)16-10-12-17(13-11-16)22-21(28)23-19(24)9-6-14-26-18-7-4-3-5-8-18/h3-5,7-8,10-13,15H,6,9,14H2,1-2H3,(H2,22,23,24,28)