methyl N-[N'-(2-acetamido-5-phenylsulfanyl-phenyl)carbamimidoyl]-N-(2-phenylethanoyl)carbamate

Systemtic Name: methyl N-[N'-(2-acetamido-5-phenylsulfanyl-phenyl)carbamimidoyl]-N-(2-phenylethanoyl)carbamate Openeye Name: methyl N-[N'-(2-acetamido-5-phenylsulfanyl-phenyl)carbamimidoyl]-N-(2-phenylacetyl)carbamate CAS Name: N-[[2-acetamido-5-(phenylthio)phenyl]imino-aminomethyl]-N-(1-oxo-2-phenylethyl)carbamic acid methyl ester IUPAC Name: methyl N-[N'-(2-acetamido-5-phenylsulfanylphenyl)carbamimidoyl]-N-(2-phenylacetyl)carbamate Traditional Name: N-[N'-[2-acetamido-5-(phenylthio)phenyl]amidino]-N-(2-phenylacetyl)carbamic acid methyl ester Formula: C25H24N4O4S MolecularWeight: 476.54746

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)SC2=CC=CC=C2)N=C(N)N(C(=O)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)SC2=CC=CC=C2)N=C(N)N(C(=O)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C25H24N4O4S/c1-17(30)27-21-14-13-20(34-19-11-7-4-8-12-19)16-22(21)28-24(26)29(25(32)33-2)23(31)15-18-9-5-3-6-10-18/h3-14,16H,15H2,1-2H3,(H2,26,28)(H,27,30)