N-(2-aminophenyl)-4-[[6-(pyridin-3-ylmethylamino)-1,3-benzothiazol-2-yl]-sulfanyl-methyl]benzamide

Systemtic Name: N-(2-aminophenyl)-4-[[6-(pyridin-3-ylmethylamino)-1,3-benzothiazol-2-yl]-sulfanyl-methyl]benzamide Openeye Name: N-(2-aminophenyl)-4-[[6-(3-pyridylmethylamino)-1,3-benzothiazol-2-yl]-sulfanyl-methyl]benzamide CAS Name: N-(2-aminophenyl)-4-[mercapto-[6-(3-pyridinylmethylamino)-1,3-benzothiazol-2-yl]methyl]benzamide IUPAC Name: N-(2-aminophenyl)-4-[[6-(pyridin-3-ylmethylamino)-1,3-benzothiazol-2-yl]-sulfanylmethyl]benzamide Traditional Name: N-(2-aminophenyl)-4-[mercapto-[6-(3-pyridylmethylamino)-1,3-benzothiazol-2-yl]methyl]benzamide Formula: C27H23N5OS2 MolecularWeight: 497.63442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)C(C3=NC4=C(S3)C=C(C=C4)NCC5=CN=CC=C5)S

Isomeric SMILES

C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)C(C3=NC4=C(S3)C=C(C=C4)NCC5=CN=CC=C5)S

InChI

InChI=1S/C27H23N5OS2/c28-21-5-1-2-6-22(21)31-26(33)19-9-7-18(8-10-19)25(34)27-32-23-12-11-20(14-24(23)35-27)30-16-17-4-3-13-29-15-17/h1-15,25,30,34H,16,28H2,(H,31,33)