methyl (NZ)-N-[[(2-acetamido-5-butyl-phenyl)amino]-ethylsulfanyl-methylidene]carbamate

Systemtic Name: methyl (NZ)-N-[[(2-acetamido-5-butyl-phenyl)amino]-ethylsulfanyl-methylidene]carbamate Openeye Name: methyl (NZ)-N-[(2-acetamido-5-butyl-anilino)-ethylsulfanyl-methylene]carbamate CAS Name: (NZ)-N-[(2-acetamido-5-butylanilino)-(ethylthio)methylidene]carbamic acid methyl ester IUPAC Name: methyl (NZ)-N-[(2-acetamido-5-butylanilino)-ethylsulfanylmethylidene]carbamate Traditional Name: (NZ)-N-[(2-acetamido-5-butyl-anilino)-(ethylthio)methylene]carbamic acid methyl ester Formula: C17H25N3O3S MolecularWeight: 351.4637

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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