phenyl N-cyano-N'-[3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propyl]carbamimidate

Systemtic Name: phenyl N-cyano-N'-[3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propyl]carbamimidate Openeye Name: 1-cyano-2-phenyl-3-[3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propyl]isourea CAS Name: N-cyano-N'-[3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propyl]carbamimidic acid phenyl ester IUPAC Name: phenyl N-cyano-N'-[3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propyl]carbamimidate Traditional Name: 1-cyano-2-phenyl-3-[3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propyl]isourea Formula: C18H21N5O MolecularWeight: 323.39224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)NC(=N2)CCCN=C(NC#N)OC3=CC=CC=C3

Isomeric SMILES

C1CCC2=C(C1)NC(=N2)CCCN=C(NC#N)OC3=CC=CC=C3

InChI

InChI=1S/C18H21N5O/c19-13-21-18(24-14-7-2-1-3-8-14)20-12-6-11-17-22-15-9-4-5-10-16(15)23-17/h1-3,7-8H,4-6,9-12H2,(H,20,21)(H,22,23)