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

Systemtic Name: methyl N-(2-acetamido-4-phenylsulfanyl-phenyl)-N-[(Z)-N'-methoxycarbonylcarbamimidoyl]carbamate Openeye Name: methyl N-(2-acetamido-4-phenylsulfanyl-phenyl)-N-[(Z)-N'-methoxycarbonylcarbamimidoyl]carbamate CAS Name: N-[2-acetamido-4-(phenylthio)phenyl]-N-[(Z)-amino(methoxycarbonylimino)methyl]carbamic acid methyl ester IUPAC Name: methyl N-(2-acetamido-4-phenylsulfanylphenyl)-N-[(Z)-N'-methoxycarbonylcarbamimidoyl]carbamate Traditional Name: N-[2-acetamido-4-(phenylthio)phenyl]-N-[(Z)-N'-carbomethoxyamidino]carbamic acid methyl ester Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)SC2=CC=CC=C2)N(C(=NC(=O)OC)N)C(=O)OC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)SC2=CC=CC=C2)N(/C(=N\C(=O)OC)/N)C(=O)OC

InChI

InChI=1S/C19H20N4O5S/c1-12(24)21-15-11-14(29-13-7-5-4-6-8-13)9-10-16(15)23(19(26)28-3)17(20)22-18(25)27-2/h4-11H,1-3H3,(H,21,24)(H2,20,22,25)