ethyl N-(2-acetamido-5-phenylsulfanyl-phenyl)-N-[(E)-N'-ethoxycarbonylcarbamimidoyl]carbamate

Systemtic Name: ethyl N-(2-acetamido-5-phenylsulfanyl-phenyl)-N-[(E)-N'-ethoxycarbonylcarbamimidoyl]carbamate Openeye Name: ethyl N-(2-acetamido-5-phenylsulfanyl-phenyl)-N-[(E)-N'-ethoxycarbonylcarbamimidoyl]carbamate CAS Name: N-[2-acetamido-5-(phenylthio)phenyl]-N-[(E)-amino(ethoxycarbonylimino)methyl]carbamic acid ethyl ester IUPAC Name: ethyl N-(2-acetamido-5-phenylsulfanylphenyl)-N-[(E)-N'-ethoxycarbonylcarbamimidoyl]carbamate Traditional Name: N-[2-acetamido-5-(phenylthio)phenyl]-N-[(E)-N'-carbethoxyamidino]carbamic acid ethyl ester Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N=C(N)N(C1=C(C=CC(=C1)SC2=CC=CC=C2)NC(=O)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)/N=C(\N)/N(C1=C(C=CC(=C1)SC2=CC=CC=C2)NC(=O)C)C(=O)OCC

InChI

InChI=1S/C21H24N4O5S/c1-4-29-20(27)24-19(22)25(21(28)30-5-2)18-13-16(11-12-17(18)23-14(3)26)31-15-9-7-6-8-10-15/h6-13H,4-5H2,1-3H3,(H,23,26)(H2,22,24,27)