2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(pyridin-4-ylmethyl)phenyl]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(pyridin-4-ylmethyl)phenyl]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(4-pyridylmethyl)phenyl]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-[4-(4-pyridylmethyl)phenyl]acetamide Formula: C21H17N3OS2 MolecularWeight: 391.50918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC(=O)NC3=CC=C(C=C3)CC4=CC=NC=C4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC(=O)NC3=CC=C(C=C3)CC4=CC=NC=C4

InChI

InChI=1S/C21H17N3OS2/c25-20(14-26-21-24-18-3-1-2-4-19(18)27-21)23-17-7-5-15(6-8-17)13-16-9-11-22-12-10-16/h1-12H,13-14H2,(H,23,25)