methyl (NZ)-N-[[[5-butyl-2-(cyclohexylcarbonylamino)phenyl]amino]-methylsulfanyl-methylidene]carbamate

Systemtic Name: methyl (NZ)-N-[[[5-butyl-2-(cyclohexylcarbonylamino)phenyl]amino]-methylsulfanyl-methylidene]carbamate Openeye Name: methyl (NZ)-N-[[5-butyl-2-(cyclohexanecarbonylamino)anilino]-methylsulfanyl-methylene]carbamate CAS Name: (NZ)-N-[[5-butyl-2-[[cyclohexyl(oxo)methyl]amino]anilino]-(methylthio)methylidene]carbamic acid methyl ester IUPAC Name: methyl (NZ)-N-[[5-butyl-2-(cyclohexanecarbonylamino)anilino]-methylsulfanylmethylidene]carbamate Traditional Name: (NZ)-N-[[5-butyl-2-(cyclohexanecarbonylamino)anilino]-(methylthio)methylene]carbamic acid methyl ester Formula: C21H31N3O3S MolecularWeight: 405.55414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=O)C2CCCCC2)NC(=NC(=O)OC)SC

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=O)C2CCCCC2)N/C(=N/C(=O)OC)/SC

InChI

InChI=1S/C21H31N3O3S/c1-4-5-9-15-12-13-17(22-19(25)16-10-7-6-8-11-16)18(14-15)23-20(28-3)24-21(26)27-2/h12-14,16H,4-11H2,1-3H3,(H,22,25)(H,23,24,26)