3-(1H-benzimidazol-2-yl)-N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]propanamide

Systemtic Name: 3-(1H-benzimidazol-2-yl)-N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]propanamide Openeye Name: 3-(1H-benzimidazol-2-yl)-N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]propanamide CAS Name: 3-(1H-benzimidazol-2-yl)-N-[2-[(3-methoxy-3-methylbutyl)thio]-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 3-(1H-benzimidazol-2-yl)-N-[2-(3-methoxy-3-methylbutyl)sulfanyl-1,3-benzothiazol-6-yl]propanamide Traditional Name: 3-(1H-benzimidazol-2-yl)-N-[2-[(3-methoxy-3-methyl-butyl)thio]-1,3-benzothiazol-6-yl]propionamide Formula: C23H26N4O2S2 MolecularWeight: 454.60814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCC3=NC4=CC=CC=C4N3)OC

Isomeric SMILES

CC(C)(CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCC3=NC4=CC=CC=C4N3)OC

InChI

InChI=1S/C23H26N4O2S2/c1-23(2,29-3)12-13-30-22-27-18-9-8-15(14-19(18)31-22)24-21(28)11-10-20-25-16-6-4-5-7-17(16)26-20/h4-9,14H,10-13H2,1-3H3,(H,24,28)(H,25,26)