methyl (NZ)-N-[[[5-butyl-2-(4-methylpentanoylamino)phenyl]amino]-methylsulfanyl-methylidene]carbamate

Systemtic Name: methyl (NZ)-N-[[[5-butyl-2-(4-methylpentanoylamino)phenyl]amino]-methylsulfanyl-methylidene]carbamate Openeye Name: methyl (NZ)-N-[[5-butyl-2-(4-methylpentanoylamino)anilino]-methylsulfanyl-methylene]carbamate CAS Name: (NZ)-N-[[5-butyl-2-[(4-methyl-1-oxopentyl)amino]anilino]-(methylthio)methylidene]carbamic acid methyl ester IUPAC Name: methyl (NZ)-N-[[5-butyl-2-(4-methylpentanoylamino)anilino]-methylsulfanylmethylidene]carbamate Traditional Name: (NZ)-N-[[5-butyl-2-(4-methylpentanoylamino)anilino]-(methylthio)methylene]carbamic acid methyl ester Formula: C20H31N3O3S MolecularWeight: 393.54344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O3S/c1-6-7-8-15-10-11-16(21-18(24)12-9-14(2)3)17(13-15)22-19(27-5)23-20(25)26-4/h10-11,13-14H,6-9,12H2,1-5H3,(H,21,24)(H,22,23,25)