1-(4-imidazol-1-ylphenyl)carbonyl-N-methyl-cyclobutane-1-carbothioamide

Systemtic Name: 1-(4-imidazol-1-ylphenyl)carbonyl-N-methyl-cyclobutane-1-carbothioamide Openeye Name: 1-(4-imidazol-1-ylbenzoyl)-N-methyl-cyclobutanecarbothioamide CAS Name: 1-[[4-(1-imidazolyl)phenyl]-oxomethyl]-N-methyl-1-cyclobutanecarbothioamide IUPAC Name: 1-(4-imidazol-1-ylbenzoyl)-N-methylcyclobutane-1-carbothioamide Traditional Name: 1-(4-imidazol-1-ylbenzoyl)-N-methyl-cyclobutanecarbothioamide Formula: C16H17N3OS MolecularWeight: 299.39068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C1(CCC1)C(=O)C2=CC=C(C=C2)N3C=CN=C3

Isomeric SMILES

CNC(=S)C1(CCC1)C(=O)C2=CC=C(C=C2)N3C=CN=C3

InChI

InChI=1S/C16H17N3OS/c1-17-15(21)16(7-2-8-16)14(20)12-3-5-13(6-4-12)19-10-9-18-11-19/h3-6,9-11H,2,7-8H2,1H3,(H,17,21)