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

Systemtic Name: ethyl 2-(carbamimidoylsulfanylmethyl)-4-(phenylmethyl)imidazo[1,2-a]benzimidazole-1-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O2S/c1-2-28-19(27)18-15(13-29-20(22)23)24-21-25(12-14-8-4-3-5-9-14)16-10-6-7-11-17(16)26(18)21/h3-11H,2,12-13H2,1H3,(H3,22,23)