methyl 4-(pentanoylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-(pentanoylcarbamothioylamino)benzoate Openeye Name: methyl 4-(pentanoylcarbamothioylamino)benzoate CAS Name: 4-[[(1-oxopentylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(pentanoylcarbamothioylamino)benzoate Traditional Name: 4-(valerylthiocarbamoylamino)benzoic acid methyl ester Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O3S/c1-3-4-5-12(17)16-14(20)15-11-8-6-10(7-9-11)13(18)19-2/h6-9H,3-5H2,1-2H3,(H2,15,16,17,20)