phenyl N-cyano-N'-(6-methylheptan-2-yl)carbamimidate

Systemtic Name: phenyl N-cyano-N'-(6-methylheptan-2-yl)carbamimidate Openeye Name: 1-cyano-3-(1,5-dimethylhexyl)-2-phenyl-isourea CAS Name: N-cyano-N'-(6-methylheptan-2-yl)carbamimidic acid phenyl ester IUPAC Name: phenyl N-cyano-N'-(6-methylheptan-2-yl)carbamimidate Traditional Name: 1-cyano-3-(1,5-dimethylhexyl)-2-phenyl-isourea Formula: C16H23N3O MolecularWeight: 273.37332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)N=C(NC#N)OC1=CC=CC=C1

Isomeric SMILES

CC(C)CCCC(C)N=C(NC#N)OC1=CC=CC=C1

InChI

InChI=1S/C16H23N3O/c1-13(2)8-7-9-14(3)19-16(18-12-17)20-15-10-5-4-6-11-15/h4-6,10-11,13-14H,7-9H2,1-3H3,(H,18,19)