3-(2-chlorophenyl)-N-(3-imidazol-1-ylpropylcarbamothioyl)-5-methyl-1,2-oxazole-4-carboxamide

Systemtic Name: 3-(2-chlorophenyl)-N-(3-imidazol-1-ylpropylcarbamothioyl)-5-methyl-1,2-oxazole-4-carboxamide Openeye Name: 3-(2-chlorophenyl)-N-(3-imidazol-1-ylpropylcarbamothioyl)-5-methyl-isoxazole-4-carboxamide CAS Name: 3-(2-chlorophenyl)-N-[[3-(1-imidazolyl)propylamino]-sulfanylidenemethyl]-5-methyl-4-isoxazolecarboxamide IUPAC Name: 3-(2-chlorophenyl)-N-(3-imidazol-1-ylpropylcarbamothioyl)-5-methyl-1,2-oxazole-4-carboxamide Traditional Name: 3-(2-chlorophenyl)-N-(3-imidazol-1-ylpropylthiocarbamoyl)-5-methyl-isoxazole-4-carboxamide Formula: C18H18ClN5O2S MolecularWeight: 403.88582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC(=S)NCCCN3C=CN=C3

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC(=S)NCCCN3C=CN=C3

InChI

InChI=1S/C18H18ClN5O2S/c1-12-15(16(23-26-12)13-5-2-3-6-14(13)19)17(25)22-18(27)21-7-4-9-24-10-8-20-11-24/h2-3,5-6,8,10-11H,4,7,9H2,1H3,(H2,21,22,25,27)