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

Systemtic Name: N-ethyl-1-(4-imidazol-1-ylphenyl)carbonyl-cyclobutane-1-carbothioamide Openeye Name: N-ethyl-1-(4-imidazol-1-ylbenzoyl)cyclobutanecarbothioamide CAS Name: N-ethyl-1-[[4-(1-imidazolyl)phenyl]-oxomethyl]-1-cyclobutanecarbothioamide IUPAC Name: N-ethyl-1-(4-imidazol-1-ylbenzoyl)cyclobutane-1-carbothioamide Traditional Name: N-ethyl-1-(4-imidazol-1-ylbenzoyl)cyclobutanecarbothioamide Formula: C17H19N3OS MolecularWeight: 313.41726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3OS/c1-2-19-16(22)17(8-3-9-17)15(21)13-4-6-14(7-5-13)20-11-10-18-12-20/h4-7,10-12H,2-3,8-9H2,1H3,(H,19,22)