5-(2-dimethylaminoethylcarbamoylamino)-3-(3,3-diphenylpropylsulfanyl)-1,2-thiazole-4-carboxylic acid

Systemtic Name: 5-(2-dimethylaminoethylcarbamoylamino)-3-(3,3-diphenylpropylsulfanyl)-1,2-thiazole-4-carboxylic acid Openeye Name: 5-(2-dimethylaminoethylcarbamoylamino)-3-(3,3-diphenylpropylsulfanyl)isothiazole-4-carboxylic acid CAS Name: 5-[[(2-dimethylaminoethylamino)-oxomethyl]amino]-3-(3,3-diphenylpropylthio)-4-isothiazolecarboxylic acid IUPAC Name: 5-(2-dimethylaminoethylcarbamoylamino)-3-(3,3-diphenylpropylsulfanyl)-1,2-thiazole-4-carboxylic acid Traditional Name: 5-(2-dimethylaminoethylcarbamoylamino)-3-(3,3-diphenylpropylthio)isothiazole-4-carboxylic acid Formula: C24H28N4O3S2 MolecularWeight: 484.63412

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)NC1=C(C(=NS1)SCCC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CN(C)CCNC(=O)NC1=C(C(=NS1)SCCC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H28N4O3S2/c1-28(2)15-14-25-24(31)26-21-20(23(29)30)22(27-33-21)32-16-13-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,13-16H2,1-2H3,(H,29,30)(H2,25,26,31)