methyl 3-[[2-[4-(aminomethyl)phenyl]-1-(3-thiomorpholin-4-ylpropyl)benzimidazol-5-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[2-[4-(aminomethyl)phenyl]-1-(3-thiomorpholin-4-ylpropyl)benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-[4-(aminomethyl)phenyl]-1-(3-thiomorpholinopropyl)benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-[4-(aminomethyl)phenyl]-1-(3-thiomorpholin-4-ylpropyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(aminomethyl)phenyl]-1-(3-thiomorpholin-4-ylpropyl)benzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-[4-(aminomethyl)phenyl]-1-(3-thiomorpholinopropyl)benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C26H33N5O3S MolecularWeight: 495.63692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)CN)CCCN4CCSCC4

Isomeric SMILES

COC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)CN)CCCN4CCSCC4

InChI

InChI=1S/C26H33N5O3S/c1-34-24(32)9-10-28-26(33)21-7-8-23-22(17-21)29-25(20-5-3-19(18-27)4-6-20)31(23)12-2-11-30-13-15-35-16-14-30/h3-8,17H,2,9-16,18,27H2,1H3,(H,28,33)