2-methylpropyl 4-(pentanoylcarbamothioylamino)benzoate

Systemtic Name: 2-methylpropyl 4-(pentanoylcarbamothioylamino)benzoate Openeye Name: isobutyl 4-(pentanoylcarbamothioylamino)benzoate CAS Name: 4-[[(1-oxopentylamino)-sulfanylidenemethyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-(pentanoylcarbamothioylamino)benzoate Traditional Name: 4-(valerylthiocarbamoylamino)benzoic acid isobutyl ester Formula: C17H24N2O3S MolecularWeight: 336.44906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)OCC(C)C

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)OCC(C)C

InChI

InChI=1S/C17H24N2O3S/c1-4-5-6-15(20)19-17(23)18-14-9-7-13(8-10-14)16(21)22-11-12(2)3/h7-10,12H,4-6,11H2,1-3H3,(H2,18,19,20,23)