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

Systemtic Name: methyl 2-[(4-aminocarbonyl-1H-benzimidazol-2-yl)sulfanyl]-2-[4-(dimethylaminomethyl)phenyl]ethanoate Openeye Name: methyl 2-[(4-carbamoyl-1H-benzimidazol-2-yl)sulfanyl]-2-[4-(dimethylaminomethyl)phenyl]acetate CAS Name: 2-[(4-carbamoyl-1H-benzimidazol-2-yl)thio]-2-[4-(dimethylaminomethyl)phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[(4-carbamoyl-1H-benzimidazol-2-yl)sulfanyl]-2-[4-(dimethylaminomethyl)phenyl]acetate Traditional Name: 2-[(4-carbamoyl-1H-benzimidazol-2-yl)thio]-2-[4-(dimethylaminomethyl)phenyl]acetic acid methyl ester Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(C=C1)C(C(=O)OC)SC2=NC3=C(C=CC=C3N2)C(=O)N

Isomeric SMILES

CN(C)CC1=CC=C(C=C1)C(C(=O)OC)SC2=NC3=C(C=CC=C3N2)C(=O)N

InChI

InChI=1S/C20H22N4O3S/c1-24(2)11-12-7-9-13(10-8-12)17(19(26)27-3)28-20-22-15-6-4-5-14(18(21)25)16(15)23-20/h4-10,17H,11H2,1-3H3,(H2,21,25)(H,22,23)