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

Systemtic Name: methyl (NZ)-N-[[[5-butyl-2-(propanoylamino)phenyl]amino]-methylsulfanyl-methylidene]carbamate Openeye Name: methyl (NZ)-N-[[5-butyl-2-(propanoylamino)anilino]-methylsulfanyl-methylene]carbamate CAS Name: (NZ)-N-[[5-butyl-2-(1-oxopropylamino)anilino]-(methylthio)methylidene]carbamic acid methyl ester IUPAC Name: methyl (NZ)-N-[[5-butyl-2-(propanoylamino)anilino]-methylsulfanylmethylidene]carbamate Traditional Name: (NZ)-N-[(5-butyl-2-propionamido-anilino)-(methylthio)methylene]carbamic acid methyl ester Formula: C17H25N3O3S MolecularWeight: 351.4637

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3S/c1-5-7-8-12-9-10-13(18-15(21)6-2)14(11-12)19-16(24-4)20-17(22)23-3/h9-11H,5-8H2,1-4H3,(H,18,21)(H,19,20,22)