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

Systemtic Name: methyl (NZ)-N-[[[5-butyl-2-(pentanoylamino)phenyl]amino]-methylsulfanyl-methylidene]carbamate Openeye Name: methyl (NZ)-N-[[5-butyl-2-(pentanoylamino)anilino]-methylsulfanyl-methylene]carbamate CAS Name: (NZ)-N-[[5-butyl-2-(1-oxopentylamino)anilino]-(methylthio)methylidene]carbamic acid methyl ester IUPAC Name: methyl (NZ)-N-[[5-butyl-2-(pentanoylamino)anilino]-methylsulfanylmethylidene]carbamate Traditional Name: (NZ)-N-[[5-butyl-2-(valerylamino)anilino]-(methylthio)methylene]carbamic acid methyl ester Formula: C19H29N3O3S MolecularWeight: 379.51686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O3S/c1-5-7-9-14-11-12-15(20-17(23)10-8-6-2)16(13-14)21-18(26-4)22-19(24)25-3/h11-13H,5-10H2,1-4H3,(H,20,23)(H,21,22,24)