methyl (NZ)-N-[[[5-butyl-2-(3-methylbutanoylamino)phenyl]amino]-methylsulfanyl-methylidene]carbamate

Systemtic Name: methyl (NZ)-N-[[[5-butyl-2-(3-methylbutanoylamino)phenyl]amino]-methylsulfanyl-methylidene]carbamate Openeye Name: methyl (NZ)-N-[[5-butyl-2-(3-methylbutanoylamino)anilino]-methylsulfanyl-methylene]carbamate CAS Name: (NZ)-N-[[5-butyl-2-[(3-methyl-1-oxobutyl)amino]anilino]-(methylthio)methylidene]carbamic acid methyl ester IUPAC Name: methyl (NZ)-N-[[5-butyl-2-(3-methylbutanoylamino)anilino]-methylsulfanylmethylidene]carbamate Traditional Name: (NZ)-N-[[5-butyl-2-(isovalerylamino)anilino]-(methylthio)methylene]carbamic acid methyl ester Formula: C19H29N3O3S MolecularWeight: 379.51686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O3S/c1-6-7-8-14-9-10-15(20-17(23)11-13(2)3)16(12-14)21-18(26-5)22-19(24)25-4/h9-10,12-13H,6-8,11H2,1-5H3,(H,20,23)(H,21,22,24)