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

Systemtic Name: methyl (NZ)-N-[[[2-(butanoylamino)-5-butyl-phenyl]amino]-methylsulfanyl-methylidene]carbamate Openeye Name: methyl (NZ)-N-[[2-(butanoylamino)-5-butyl-anilino]-methylsulfanyl-methylene]carbamate CAS Name: (NZ)-N-[[5-butyl-2-(1-oxobutylamino)anilino]-(methylthio)methylidene]carbamic acid methyl ester IUPAC Name: methyl (NZ)-N-[[2-(butanoylamino)-5-butylanilino]-methylsulfanylmethylidene]carbamate Traditional Name: (NZ)-N-[(5-butyl-2-butyramido-anilino)-(methylthio)methylene]carbamic acid methyl ester Formula: C18H27N3O3S MolecularWeight: 365.49028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3S/c1-5-7-9-13-10-11-14(19-16(22)8-6-2)15(12-13)20-17(25-4)21-18(23)24-3/h10-12H,5-9H2,1-4H3,(H,19,22)(H,20,21,23)