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

Systemtic Name: methyl 2-[(4-aminocarbonyl-1H-benzimidazol-2-yl)sulfanyl]-2-[4-(morpholin-4-ylmethyl)phenyl]ethanoate Openeye Name: methyl 2-[(4-carbamoyl-1H-benzimidazol-2-yl)sulfanyl]-2-[4-(morpholinomethyl)phenyl]acetate CAS Name: 2-[(4-carbamoyl-1H-benzimidazol-2-yl)thio]-2-[4-(4-morpholinylmethyl)phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[(4-carbamoyl-1H-benzimidazol-2-yl)sulfanyl]-2-[4-(morpholin-4-ylmethyl)phenyl]acetate Traditional Name: 2-[(4-carbamoyl-1H-benzimidazol-2-yl)thio]-2-[4-(morpholinomethyl)phenyl]acetic acid methyl ester Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=C(C=C1)CN2CCOCC2)SC3=NC4=C(C=CC=C4N3)C(=O)N

Isomeric SMILES

COC(=O)C(C1=CC=C(C=C1)CN2CCOCC2)SC3=NC4=C(C=CC=C4N3)C(=O)N

InChI

InChI=1S/C22H24N4O4S/c1-29-21(28)19(15-7-5-14(6-8-15)13-26-9-11-30-12-10-26)31-22-24-17-4-2-3-16(20(23)27)18(17)25-22/h2-8,19H,9-13H2,1H3,(H2,23,27)(H,24,25)