N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloranyl-2-oxidanylidene-6-phenyl-3-(phenylmethylsulfanyl)pyrazin-1-yl]ethanamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloranyl-2-oxidanylidene-6-phenyl-3-(phenylmethylsulfanyl)pyrazin-1-yl]ethanamide Openeye Name: 2-(3-benzylsulfanyl-5-chloro-2-oxo-6-phenyl-pyrazin-1-yl)-N-[(4-carbamimidoylphenyl)methyl]acetamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-2-oxo-6-phenyl-3-(phenylmethylthio)-1-pyrazinyl]acetamide IUPAC Name: 2-(3-benzylsulfanyl-5-chloro-2-oxo-6-phenylpyrazin-1-yl)-N-[(4-carbamimidoylphenyl)methyl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[3-(benzylthio)-5-chloro-2-keto-6-phenyl-pyrazin-1-yl]acetamide Formula: C27H24ClN5O2S MolecularWeight: 518.02976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=C(N(C2=O)CC(=O)NCC3=CC=C(C=C3)C(=N)N)C4=CC=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=C(N(C2=O)CC(=O)NCC3=CC=C(C=C3)C(=N)N)C4=CC=CC=C4)Cl

InChI

InChI=1S/C27H24ClN5O2S/c28-24-23(20-9-5-2-6-10-20)33(27(35)26(32-24)36-17-19-7-3-1-4-8-19)16-22(34)31-15-18-11-13-21(14-12-18)25(29)30/h1-14H,15-17H2,(H3,29,30)(H,31,34)