4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(2-pyridin-3-ylethyl)benzamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(2-pyridin-3-ylethyl)benzamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[2-(3-pyridyl)ethyl]benzamide CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[2-(3-pyridinyl)ethyl]benzamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(2-pyridin-3-ylethyl)benzamide Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[2-(3-pyridyl)ethyl]benzamide Formula: C22H19N3OS2 MolecularWeight: 405.53576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(C=C3)C(=O)NCCC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(C=C3)C(=O)NCCC4=CN=CC=C4

InChI

InChI=1S/C22H19N3OS2/c26-21(24-13-11-16-4-3-12-23-14-16)18-9-7-17(8-10-18)15-27-22-25-19-5-1-2-6-20(19)28-22/h1-10,12,14H,11,13,15H2,(H,24,26)