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

Systemtic Name: methyl 2-[(4-aminocarbonyl-1H-benzimidazol-2-yl)sulfanyl]-2-[4-(methylaminomethyl)phenyl]ethanoate Openeye Name: methyl 2-[(4-carbamoyl-1H-benzimidazol-2-yl)sulfanyl]-2-[4-(methylaminomethyl)phenyl]acetate CAS Name: 2-[(4-carbamoyl-1H-benzimidazol-2-yl)thio]-2-[4-(methylaminomethyl)phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[(4-carbamoyl-1H-benzimidazol-2-yl)sulfanyl]-2-[4-(methylaminomethyl)phenyl]acetate Traditional Name: 2-[(4-carbamoyl-1H-benzimidazol-2-yl)thio]-2-[4-(methylaminomethyl)phenyl]acetic acid methyl ester Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=CC=C(C=C1)C(C(=O)OC)SC2=NC3=C(C=CC=C3N2)C(=O)N

Isomeric SMILES

CNCC1=CC=C(C=C1)C(C(=O)OC)SC2=NC3=C(C=CC=C3N2)C(=O)N

InChI

InChI=1S/C19H20N4O3S/c1-21-10-11-6-8-12(9-7-11)16(18(25)26-2)27-19-22-14-5-3-4-13(17(20)24)15(14)23-19/h3-9,16,21H,10H2,1-2H3,(H2,20,24)(H,22,23)