[2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: [2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: [2-(butylcarbamoylamino)-2-oxo-ethyl] 2-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 2-(4-thiazolylmethylthio)benzoic acid [2-[[butylamino(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(butylcarbamoylamino)-2-oxoethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 2-(thiazol-4-ylmethylthio)benzoic acid [2-(butylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H21N3O4S2 MolecularWeight: 407.50704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)COC(=O)C1=CC=CC=C1SCC2=CSC=N2

Isomeric SMILES

CCCCNC(=O)NC(=O)COC(=O)C1=CC=CC=C1SCC2=CSC=N2

InChI

InChI=1S/C18H21N3O4S2/c1-2-3-8-19-18(24)21-16(22)9-25-17(23)14-6-4-5-7-15(14)27-11-13-10-26-12-20-13/h4-7,10,12H,2-3,8-9,11H2,1H3,(H2,19,21,22,24)