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

Systemtic Name: N-(2-aminophenyl)-4-[[6-(pyridin-3-ylmethylamino)-1,3-benzothiazol-2-yl]sulfanylmethyl]benzamide Openeye Name: N-(2-aminophenyl)-4-[[6-(3-pyridylmethylamino)-1,3-benzothiazol-2-yl]sulfanylmethyl]benzamide CAS Name: N-(2-aminophenyl)-4-[[[6-(3-pyridinylmethylamino)-1,3-benzothiazol-2-yl]thio]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-[[[6-(3-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=CN=CC=C5

Isomeric SMILES

C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CSC3=NC4=C(S3)C=C(C=C4)NCC5=CN=CC=C5

InChI

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