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

Systemtic Name: phenyl N'-(2-azanyl-5-cyclohexylsulfanyl-phenyl)-N-cyano-carbamimidate Openeye Name: 3-(2-amino-5-cyclohexylsulfanyl-phenyl)-1-cyano-2-phenyl-isourea CAS Name: N'-[2-amino-5-(cyclohexylthio)phenyl]-N-cyanocarbamimidic acid phenyl ester IUPAC Name: phenyl N'-(2-amino-5-cyclohexylsulfanylphenyl)-N-cyanocarbamimidate Traditional Name: 3-[2-amino-5-(cyclohexylthio)phenyl]-1-cyano-2-phenyl-isourea Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC2=CC(=C(C=C2)N)N=C(NC#N)OC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)SC2=CC(=C(C=C2)N)N=C(NC#N)OC3=CC=CC=C3

InChI

InChI=1S/C20H22N4OS/c21-14-23-20(25-15-7-3-1-4-8-15)24-19-13-17(11-12-18(19)22)26-16-9-5-2-6-10-16/h1,3-4,7-8,11-13,16H,2,5-6,9-10,22H2,(H,23,24)