ethyl 3-[[2-[(4-carbamimidoylphenyl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]carbonyl-(2-methylpropyl)amino]propanoate

Systemtic Name: ethyl 3-[[2-[(4-carbamimidoylphenyl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]carbonyl-(2-methylpropyl)amino]propanoate Openeye Name: ethyl 3-[[2-[(4-carbamimidoylphenyl)sulfanylmethyl]-1-methyl-benzimidazole-5-carbonyl]-isobutyl-amino]propanoate CAS Name: 3-[[[2-[[(4-carbamimidoylphenyl)thio]methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]-(2-methylpropyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(4-carbamimidoylphenyl)sulfanylmethyl]-1-methylbenzimidazole-5-carbonyl]-(2-methylpropyl)amino]propanoate Traditional Name: 3-[[2-[[(4-amidinophenyl)thio]methyl]-1-methyl-benzimidazole-5-carbonyl]-isobutyl-amino]propionic acid ethyl ester Formula: C26H33N5O3S MolecularWeight: 495.63692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC(C)C)C(=O)C1=CC2=C(C=C1)N(C(=N2)CSC3=CC=C(C=C3)C(=N)N)C

Isomeric SMILES

CCOC(=O)CCN(CC(C)C)C(=O)C1=CC2=C(C=C1)N(C(=N2)CSC3=CC=C(C=C3)C(=N)N)C

InChI

InChI=1S/C26H33N5O3S/c1-5-34-24(32)12-13-31(15-17(2)3)26(33)19-8-11-22-21(14-19)29-23(30(22)4)16-35-20-9-6-18(7-10-20)25(27)28/h6-11,14,17H,5,12-13,15-16H2,1-4H3,(H3,27,28)