3-(1,3-benzothiazol-2-yl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[[2-(1-imidazolylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[2-(imidazol-1-ylmethyl)benzyl]propionamide Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)CCC2=NC3=CC=CC=C3S2)CN4C=CN=C4

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)CCC2=NC3=CC=CC=C3S2)CN4C=CN=C4

InChI

InChI=1S/C21H20N4OS/c26-20(9-10-21-24-18-7-3-4-8-19(18)27-21)23-13-16-5-1-2-6-17(16)14-25-12-11-22-15-25/h1-8,11-12,15H,9-10,13-14H2,(H,23,26)