5-(dimethylcarbamoylamino)-3-(phenylmethylsulfanyl)-1,2-thiazole-4-carboxylic acid

Systemtic Name: 5-(dimethylcarbamoylamino)-3-(phenylmethylsulfanyl)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-benzylsulfanyl-5-(dimethylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 5-[[dimethylamino(oxo)methyl]amino]-3-(phenylmethylthio)-4-isothiazolecarboxylic acid IUPAC Name: 3-benzylsulfanyl-5-(dimethylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(benzylthio)-5-(dimethylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C14H15N3O3S2 MolecularWeight: 337.4172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)NC1=C(C(=NS1)SCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CN(C)C(=O)NC1=C(C(=NS1)SCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C14H15N3O3S2/c1-17(2)14(20)15-11-10(13(18)19)12(16-22-11)21-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,15,20)(H,18,19)