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

Systemtic Name: methyl (NZ)-N-[[(2-acetamido-5-butyl-phenyl)amino]-prop-2-enylsulfanyl-methylidene]carbamate Openeye Name: methyl (NZ)-N-[(2-acetamido-5-butyl-anilino)-allylsulfanyl-methylene]carbamate CAS Name: (NZ)-N-[(2-acetamido-5-butylanilino)-(prop-2-enylthio)methylidene]carbamic acid methyl ester IUPAC Name: methyl (NZ)-N-[(2-acetamido-5-butylanilino)-prop-2-enylsulfanylmethylidene]carbamate Traditional Name: (NZ)-N-[(2-acetamido-5-butyl-anilino)-(allylthio)methylene]carbamic acid methyl ester Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O3S/c1-5-7-8-14-9-10-15(19-13(3)22)16(12-14)20-17(25-11-6-2)21-18(23)24-4/h6,9-10,12H,2,5,7-8,11H2,1,3-4H3,(H,19,22)(H,20,21,23)