butyl 4-(3-phenoxypropanoylcarbamothioylamino)benzoate

Systemtic Name: butyl 4-(3-phenoxypropanoylcarbamothioylamino)benzoate Openeye Name: butyl 4-(3-phenoxypropanoylcarbamothioylamino)benzoate CAS Name: 4-[[[(1-oxo-3-phenoxypropyl)amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-(3-phenoxypropanoylcarbamothioylamino)benzoate Traditional Name: 4-(3-phenoxypropanoylthiocarbamoylamino)benzoic acid butyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCOC2=CC=CC=C2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCOC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O4S/c1-2-3-14-27-20(25)16-9-11-17(12-10-16)22-21(28)23-19(24)13-15-26-18-7-5-4-6-8-18/h4-12H,2-3,13-15H2,1H3,(H2,22,23,24,28)