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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CSC3=NC4=C(S3)C=C(C=C4)NCC5=CC=CC=N5

Isomeric SMILES

C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CSC3=NC4=C(S3)C=C(C=C4)NCC5=CC=CC=N5

InChI

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