[2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate

Systemtic Name: [2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Openeye Name: [2-(butylcarbamoylamino)-2-oxo-ethyl] 4-[(2-methylthiazol-4-yl)methylsulfanyl]benzoate CAS Name: 4-[(2-methyl-4-thiazolyl)methylthio]benzoic acid [2-[[butylamino(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(butylcarbamoylamino)-2-oxoethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Traditional Name: 4-[(2-methylthiazol-4-yl)methylthio]benzoic acid [2-(butylcarbamoylamino)-2-keto-ethyl] ester Formula: C19H23N3O4S2 MolecularWeight: 421.53362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)SCC2=CSC(=N2)C

Isomeric SMILES

CCCCNC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)SCC2=CSC(=N2)C

InChI

InChI=1S/C19H23N3O4S2/c1-3-4-9-20-19(25)22-17(23)10-26-18(24)14-5-7-16(8-6-14)28-12-15-11-27-13(2)21-15/h5-8,11H,3-4,9-10,12H2,1-2H3,(H2,20,22,23,25)