2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamide

Systemtic Name: 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamide Openeye Name: 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide CAS Name: 2-[1-(1H-benzimidazol-2-yl)ethylthio]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide IUPAC Name: 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide Traditional Name: 2-[1-(1H-benzimidazol-2-yl)ethylthio]-N-(2,4,5-trimethoxybenzyl)acetamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2N1)SCC(=O)NCC3=CC(=C(C=C3OC)OC)OC

Isomeric SMILES

CC(C1=NC2=CC=CC=C2N1)SCC(=O)NCC3=CC(=C(C=C3OC)OC)OC

InChI

InChI=1S/C21H25N3O4S/c1-13(21-23-15-7-5-6-8-16(15)24-21)29-12-20(25)22-11-14-9-18(27-3)19(28-4)10-17(14)26-2/h5-10,13H,11-12H2,1-4H3,(H,22,25)(H,23,24)