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

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(3-pyrrolidin-1-ylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(3-pyrrolidin-1-ylpropylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(4-chlorophenyl)methylthio]-5-[[oxo-[3-(1-pyrrolidinyl)propylamino]methyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(3-pyrrolidin-1-ylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-[(4-chlorobenzyl)thio]-5-(3-pyrrolidinopropylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C19H23ClN4O3S2 MolecularWeight: 454.99392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCNC(=O)NC2=C(C(=NS2)SCC3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1CCN(C1)CCCNC(=O)NC2=C(C(=NS2)SCC3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C19H23ClN4O3S2/c20-14-6-4-13(5-7-14)12-28-17-15(18(25)26)16(29-23-17)22-19(27)21-8-3-11-24-9-1-2-10-24/h4-7H,1-3,8-12H2,(H,25,26)(H2,21,22,27)