2-(3-imidazol-1-ylpropylamino)benzenecarbothioamide

Systemtic Name: 2-(3-imidazol-1-ylpropylamino)benzenecarbothioamide Openeye Name: 2-(3-imidazol-1-ylpropylamino)benzenecarbothioamide CAS Name: 2-[3-(1-imidazolyl)propylamino]benzenecarbothioamide IUPAC Name: 2-(3-imidazol-1-ylpropylamino)benzenecarbothioamide Traditional Name: 2-(3-imidazol-1-ylpropylamino)thiobenzamide Formula: C13H16N4S MolecularWeight: 260.35794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=S)N)NCCCN2C=CN=C2

Isomeric SMILES

C1=CC=C(C(=C1)C(=S)N)NCCCN2C=CN=C2

InChI

InChI=1S/C13H16N4S/c14-13(18)11-4-1-2-5-12(11)16-6-3-8-17-9-7-15-10-17/h1-2,4-5,7,9-10,16H,3,6,8H2,(H2,14,18)