methyl 2-(carbamimidoylsulfanylmethyl)-4-(phenylmethyl)imidazo[1,2-a]benzimidazole-1-carboxylate

Systemtic Name: methyl 2-(carbamimidoylsulfanylmethyl)-4-(phenylmethyl)imidazo[1,2-a]benzimidazole-1-carboxylate Openeye Name: methyl 4-benzyl-2-(carbamimidoylsulfanylmethyl)imidazo[1,2-a]benzimidazole-1-carboxylate CAS Name: 2-[(carbamimidoylthio)methyl]-4-(phenylmethyl)-1-imidazo[1,2-a]benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 4-benzyl-2-(carbamimidoylsulfanylmethyl)imidazo[1,2-a]benzimidazole-1-carboxylate Traditional Name: 2-[(amidinothio)methyl]-4-benzyl-imidazo[1,2-a]benzimidazole-1-carboxylic acid methyl ester Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=C2N1C3=CC=CC=C3N2CC4=CC=CC=C4)CSC(=N)N

Isomeric SMILES

COC(=O)C1=C(N=C2N1C3=CC=CC=C3N2CC4=CC=CC=C4)CSC(=N)N

InChI

InChI=1S/C20H19N5O2S/c1-27-18(26)17-14(12-28-19(21)22)23-20-24(11-13-7-3-2-4-8-13)15-9-5-6-10-16(15)25(17)20/h2-10H,11-12H2,1H3,(H3,21,22)