methyl 2-[(4-aminocarbonyl-1H-benzimidazol-2-yl)sulfanyl]-2-[4-(piperidin-1-ylmethyl)phenyl]ethanoate

Systemtic Name: methyl 2-[(4-aminocarbonyl-1H-benzimidazol-2-yl)sulfanyl]-2-[4-(piperidin-1-ylmethyl)phenyl]ethanoate Openeye Name: methyl 2-[(4-carbamoyl-1H-benzimidazol-2-yl)sulfanyl]-2-[4-(1-piperidylmethyl)phenyl]acetate CAS Name: 2-[(4-carbamoyl-1H-benzimidazol-2-yl)thio]-2-[4-(1-piperidinylmethyl)phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[(4-carbamoyl-1H-benzimidazol-2-yl)sulfanyl]-2-[4-(piperidin-1-ylmethyl)phenyl]acetate Traditional Name: 2-[(4-carbamoyl-1H-benzimidazol-2-yl)thio]-2-[4-(piperidinomethyl)phenyl]acetic acid methyl ester Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=C(C=C1)CN2CCCCC2)SC3=NC4=C(C=CC=C4N3)C(=O)N

Isomeric SMILES

COC(=O)C(C1=CC=C(C=C1)CN2CCCCC2)SC3=NC4=C(C=CC=C4N3)C(=O)N

InChI

InChI=1S/C23H26N4O3S/c1-30-22(29)20(16-10-8-15(9-11-16)14-27-12-3-2-4-13-27)31-23-25-18-7-5-6-17(21(24)28)19(18)26-23/h5-11,20H,2-4,12-14H2,1H3,(H2,24,28)(H,25,26)