4-[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-(isobutylcarbamoylamino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl]thio]benzoic acid IUPAC Name: 4-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-(isobutylcarbamoylamino)-2-keto-ethyl]thio]benzoic acid Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)CSC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)NC(=O)CSC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C14H18N2O4S/c1-9(2)7-15-14(20)16-12(17)8-21-11-5-3-10(4-6-11)13(18)19/h3-6,9H,7-8H2,1-2H3,(H,18,19)(H2,15,16,17,20)