3-[(4-chlorophenyl)methylsulfanyl]-5-(2-dimethylaminoethylcarbamoylamino)-1,2-thiazole-4-carboxylic acid

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(2-dimethylaminoethylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(2-dimethylaminoethylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(4-chlorophenyl)methylthio]-5-[[(2-dimethylaminoethylamino)-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(2-dimethylaminoethylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-[(4-chlorobenzyl)thio]-5-(2-dimethylaminoethylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C16H19ClN4O3S2 MolecularWeight: 414.93006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN4O3S2/c1-21(2)8-7-18-16(24)19-13-12(15(22)23)14(20-26-13)25-9-10-3-5-11(17)6-4-10/h3-6H,7-9H2,1-2H3,(H,22,23)(H2,18,19,24)