4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[3-(imidazol-1-ylmethyl)phenyl]benzamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[3-(imidazol-1-ylmethyl)phenyl]benzamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[3-(imidazol-1-ylmethyl)phenyl]benzamide CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[3-(1-imidazolylmethyl)phenyl]benzamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[3-(imidazol-1-ylmethyl)phenyl]benzamide Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[3-(imidazol-1-ylmethyl)phenyl]benzamide Formula: C25H20N4OS2 MolecularWeight: 456.5825

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(C=C3)C(=O)NC4=CC=CC(=C4)CN5C=CN=C5

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(C=C3)C(=O)NC4=CC=CC(=C4)CN5C=CN=C5

InChI

InChI=1S/C25H20N4OS2/c30-24(27-21-5-3-4-19(14-21)15-29-13-12-26-17-29)20-10-8-18(9-11-20)16-31-25-28-22-6-1-2-7-23(22)32-25/h1-14,17H,15-16H2,(H,27,30)