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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O4S/c1-2-3-8-15-14(20)16-12(17)9-21-11-6-4-10(5-7-11)13(18)19/h4-7H,2-3,8-9H2,1H3,(H,18,19)(H2,15,16,17,20)