propyl 4-(3-methylbutanoylcarbamothioylamino)benzoate

Systemtic Name: propyl 4-(3-methylbutanoylcarbamothioylamino)benzoate Openeye Name: propyl 4-(3-methylbutanoylcarbamothioylamino)benzoate CAS Name: 4-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-(3-methylbutanoylcarbamothioylamino)benzoate Traditional Name: 4-(isovalerylthiocarbamoylamino)benzoic acid propyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CC(C)C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CC(C)C

InChI

InChI=1S/C16H22N2O3S/c1-4-9-21-15(20)12-5-7-13(8-6-12)17-16(22)18-14(19)10-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H2,17,18,19,22)