4-methoxy-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]cyclohexane-1-carboxamide

Systemtic Name: 4-methoxy-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]cyclohexane-1-carboxamide Openeye Name: 4-methoxy-N-[2-(3-pyridylmethylsulfanyl)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide CAS Name: 4-methoxy-N-[2-(3-pyridinylmethylthio)-1,3-benzothiazol-6-yl]-1-cyclohexanecarboxamide IUPAC Name: 4-methoxy-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]cyclohexane-1-carboxamide Traditional Name: 4-methoxy-N-[2-(3-pyridylmethylthio)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCC(CC1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CN=CC=C4

Isomeric SMILES

COC1CCC(CC1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CN=CC=C4

InChI

InChI=1S/C21H23N3O2S2/c1-26-17-7-4-15(5-8-17)20(25)23-16-6-9-18-19(11-16)28-21(24-18)27-13-14-3-2-10-22-12-14/h2-3,6,9-12,15,17H,4-5,7-8,13H2,1H3,(H,23,25)