phenyl N'-(2-azanyl-5-butyl-phenyl)-N-cyano-carbamimidate

Systemtic Name: phenyl N'-(2-azanyl-5-butyl-phenyl)-N-cyano-carbamimidate Openeye Name: 3-(2-amino-5-butyl-phenyl)-1-cyano-2-phenyl-isourea CAS Name: N'-(2-amino-5-butylphenyl)-N-cyanocarbamimidic acid phenyl ester IUPAC Name: phenyl N'-(2-amino-5-butylphenyl)-N-cyanocarbamimidate Traditional Name: 3-(2-amino-5-butyl-phenyl)-1-cyano-2-phenyl-isourea Formula: C18H20N4O MolecularWeight: 308.3776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)N)N=C(NC#N)OC2=CC=CC=C2

Isomeric SMILES

CCCCC1=CC(=C(C=C1)N)N=C(NC#N)OC2=CC=CC=C2

InChI

InChI=1S/C18H20N4O/c1-2-3-7-14-10-11-16(20)17(12-14)22-18(21-13-19)23-15-8-5-4-6-9-15/h4-6,8-12H,2-3,7,20H2,1H3,(H,21,22)