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

Systemtic Name: 3-(3,3-diphenylpropylsulfanyl)-5-(3-oxidanylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-(3,3-diphenylpropylsulfanyl)-5-(3-hydroxypropylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-(3,3-diphenylpropylthio)-5-[[(3-hydroxypropylamino)-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-(3,3-diphenylpropylsulfanyl)-5-(3-hydroxypropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(3,3-diphenylpropylthio)-5-(3-hydroxypropylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C23H25N3O4S2 MolecularWeight: 471.5923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCSC2=NSC(=C2C(=O)O)NC(=O)NCCCO)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(CCSC2=NSC(=C2C(=O)O)NC(=O)NCCCO)C3=CC=CC=C3

InChI

InChI=1S/C23H25N3O4S2/c27-14-7-13-24-23(30)25-20-19(22(28)29)21(26-32-20)31-15-12-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18,27H,7,12-15H2,(H,28,29)(H2,24,25,30)