N-[2-[(4-carbamimidoylphenyl)methylsulfanyl]-1-methyl-benzimidazol-5-yl]benzamide

Systemtic Name: N-[2-[(4-carbamimidoylphenyl)methylsulfanyl]-1-methyl-benzimidazol-5-yl]benzamide Openeye Name: N-[2-[(4-carbamimidoylphenyl)methylsulfanyl]-1-methyl-benzimidazol-5-yl]benzamide CAS Name: N-[2-[(4-carbamimidoylphenyl)methylthio]-1-methyl-5-benzimidazolyl]benzamide IUPAC Name: N-[2-[(4-carbamimidoylphenyl)methylsulfanyl]-1-methylbenzimidazol-5-yl]benzamide Traditional Name: N-[2-[(4-amidinobenzyl)thio]-1-methyl-benzimidazol-5-yl]benzamide Formula: C23H21N5OS MolecularWeight: 415.51074

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3)N=C1SCC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3)N=C1SCC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C23H21N5OS/c1-28-20-12-11-18(26-22(29)17-5-3-2-4-6-17)13-19(20)27-23(28)30-14-15-7-9-16(10-8-15)21(24)25/h2-13H,14H2,1H3,(H3,24,25)(H,26,29)