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

Systemtic Name: 5-(2-dimethylaminoethylcarbamoylamino)-3-[(2-methylphenyl)methylsulfanyl]-1,2-thiazole-4-carboxylic acid Openeye Name: 5-(2-dimethylaminoethylcarbamoylamino)-3-(o-tolylmethylsulfanyl)isothiazole-4-carboxylic acid CAS Name: 5-[[(2-dimethylaminoethylamino)-oxomethyl]amino]-3-[(2-methylphenyl)methylthio]-4-isothiazolecarboxylic acid IUPAC Name: 5-(2-dimethylaminoethylcarbamoylamino)-3-[(2-methylphenyl)methylsulfanyl]-1,2-thiazole-4-carboxylic acid Traditional Name: 5-(2-dimethylaminoethylcarbamoylamino)-3-[(2-methylbenzyl)thio]isothiazole-4-carboxylic acid Formula: C17H22N4O3S2 MolecularWeight: 394.51158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NSC(=C2C(=O)O)NC(=O)NCCN(C)C

Isomeric SMILES

CC1=CC=CC=C1CSC2=NSC(=C2C(=O)O)NC(=O)NCCN(C)C

InChI

InChI=1S/C17H22N4O3S2/c1-11-6-4-5-7-12(11)10-25-15-13(16(22)23)14(26-20-15)19-17(24)18-8-9-21(2)3/h4-7H,8-10H2,1-3H3,(H,22,23)(H2,18,19,24)