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

Systemtic Name: methyl (NZ)-N-[[[5-butyl-2-(2-phenylethanoylamino)phenyl]amino]-methylsulfanyl-methylidene]carbamate Openeye Name: methyl (NZ)-N-[[5-butyl-2-[(2-phenylacetyl)amino]anilino]-methylsulfanyl-methylene]carbamate CAS Name: (NZ)-N-[[5-butyl-2-[(1-oxo-2-phenylethyl)amino]anilino]-(methylthio)methylidene]carbamic acid methyl ester IUPAC Name: methyl (NZ)-N-[[5-butyl-2-[(2-phenylacetyl)amino]anilino]-methylsulfanylmethylidene]carbamate Traditional Name: (NZ)-N-[[5-butyl-2-[(2-phenylacetyl)amino]anilino]-(methylthio)methylene]carbamic acid methyl ester Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=O)CC2=CC=CC=C2)NC(=NC(=O)OC)SC

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=O)CC2=CC=CC=C2)N/C(=N/C(=O)OC)/SC

InChI

InChI=1S/C22H27N3O3S/c1-4-5-9-17-12-13-18(23-20(26)15-16-10-7-6-8-11-16)19(14-17)24-21(29-3)25-22(27)28-2/h6-8,10-14H,4-5,9,15H2,1-3H3,(H,23,26)(H,24,25,27)