5-[(phenylmethyl)carbamoylamino]-3-(phenylmethylsulfanyl)-1,2-thiazole-4-carboxylic acid

Systemtic Name: 5-[(phenylmethyl)carbamoylamino]-3-(phenylmethylsulfanyl)-1,2-thiazole-4-carboxylic acid Openeye Name: 5-(benzylcarbamoylamino)-3-benzylsulfanyl-isothiazole-4-carboxylic acid CAS Name: 5-[[oxo-[(phenylmethyl)amino]methyl]amino]-3-(phenylmethylthio)-4-isothiazolecarboxylic acid IUPAC Name: 5-(benzylcarbamoylamino)-3-benzylsulfanyl-1,2-thiazole-4-carboxylic acid Traditional Name: 5-(benzylcarbamoylamino)-3-(benzylthio)isothiazole-4-carboxylic acid Formula: C19H17N3O3S2 MolecularWeight: 399.48658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)NC2=C(C(=NS2)SCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)NC2=C(C(=NS2)SCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H17N3O3S2/c23-18(24)15-16(21-19(25)20-11-13-7-3-1-4-8-13)27-22-17(15)26-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,23,24)(H2,20,21,25)