methyl N-(2-acetamido-4-propylsulfanyl-phenyl)-N-[(Z)-N'-methoxycarbonylcarbamimidoyl]carbamate

Systemtic Name: methyl N-(2-acetamido-4-propylsulfanyl-phenyl)-N-[(Z)-N'-methoxycarbonylcarbamimidoyl]carbamate Openeye Name: methyl N-(2-acetamido-4-propylsulfanyl-phenyl)-N-[(Z)-N'-methoxycarbonylcarbamimidoyl]carbamate CAS Name: N-[2-acetamido-4-(propylthio)phenyl]-N-[(Z)-amino(methoxycarbonylimino)methyl]carbamic acid methyl ester IUPAC Name: methyl N-(2-acetamido-4-propylsulfanylphenyl)-N-[(Z)-N'-methoxycarbonylcarbamimidoyl]carbamate Traditional Name: N-[2-acetamido-4-(propylthio)phenyl]-N-[(Z)-N'-carbomethoxyamidino]carbamic acid methyl ester Formula: C16H22N4O5S MolecularWeight: 382.43468

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC(=C(C=C1)N(C(=NC(=O)OC)N)C(=O)OC)NC(=O)C

Isomeric SMILES

CCCSC1=CC(=C(C=C1)N(/C(=N\C(=O)OC)/N)C(=O)OC)NC(=O)C

InChI

InChI=1S/C16H22N4O5S/c1-5-8-26-11-6-7-13(12(9-11)18-10(2)21)20(16(23)25-4)14(17)19-15(22)24-3/h6-7,9H,5,8H2,1-4H3,(H,18,21)(H2,17,19,22)