methyl N-(2-benzamido-5-phenylsulfanyl-phenyl)-N-[(E)-N'-methoxycarbonylcarbamimidoyl]carbamate

Systemtic Name: methyl N-(2-benzamido-5-phenylsulfanyl-phenyl)-N-[(E)-N'-methoxycarbonylcarbamimidoyl]carbamate Openeye Name: methyl N-(2-benzamido-5-phenylsulfanyl-phenyl)-N-[(E)-N'-methoxycarbonylcarbamimidoyl]carbamate CAS Name: N-[(E)-amino(methoxycarbonylimino)methyl]-N-[2-benzamido-5-(phenylthio)phenyl]carbamic acid methyl ester IUPAC Name: methyl N-(2-benzamido-5-phenylsulfanylphenyl)-N-[(E)-N'-methoxycarbonylcarbamimidoyl]carbamate Traditional Name: N-[2-benzamido-5-(phenylthio)phenyl]-N-[(E)-N'-carbomethoxyamidino]carbamic acid methyl ester Formula: C24H22N4O5S MolecularWeight: 478.52028

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N=C(N)N(C1=C(C=CC(=C1)SC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)/N=C(\N)/N(C1=C(C=CC(=C1)SC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C24H22N4O5S/c1-32-23(30)27-22(25)28(24(31)33-2)20-15-18(34-17-11-7-4-8-12-17)13-14-19(20)26-21(29)16-9-5-3-6-10-16/h3-15H,1-2H3,(H,26,29)(H2,25,27,30)