N-[2-(pyridin-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide

Systemtic Name: N-[2-(pyridin-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide Openeye Name: N-[2-(2-pyridylmethylsulfanyl)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide CAS Name: N-[2-(2-pyridinylmethylthio)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide IUPAC Name: N-[2-(pyridin-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide Traditional Name: N-[2-(2-pyridylmethylthio)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide Formula: C20H21N3OS2 MolecularWeight: 383.53024

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=CC=N4

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=CC=N4

InChI

InChI=1S/C20H21N3OS2/c24-19(14-6-2-1-3-7-14)22-15-9-10-17-18(12-15)26-20(23-17)25-13-16-8-4-5-11-21-16/h4-5,8-12,14H,1-3,6-7,13H2,(H,22,24)