6-(1,3-benzothiazol-2-yl)-N-(2-pyridin-2-ylethyl)cyclohex-3-ene-1-carboxamide

Systemtic Name: 6-(1,3-benzothiazol-2-yl)-N-(2-pyridin-2-ylethyl)cyclohex-3-ene-1-carboxamide Openeye Name: 6-(1,3-benzothiazol-2-yl)-N-[2-(2-pyridyl)ethyl]cyclohex-3-ene-1-carboxamide CAS Name: 6-(1,3-benzothiazol-2-yl)-N-[2-(2-pyridinyl)ethyl]-1-cyclohex-3-enecarboxamide IUPAC Name: 6-(1,3-benzothiazol-2-yl)-N-(2-pyridin-2-ylethyl)cyclohex-3-ene-1-carboxamide Traditional Name: 6-(1,3-benzothiazol-2-yl)-N-[2-(2-pyridyl)ethyl]cyclohex-3-ene-1-carboxamide Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C2=NC3=CC=CC=C3S2)C(=O)NCCC4=CC=CC=N4

Isomeric SMILES

C1C=CCC(C1C2=NC3=CC=CC=C3S2)C(=O)NCCC4=CC=CC=N4

InChI

InChI=1S/C21H21N3OS/c25-20(23-14-12-15-7-5-6-13-22-15)16-8-1-2-9-17(16)21-24-18-10-3-4-11-19(18)26-21/h1-7,10-11,13,16-17H,8-9,12,14H2,(H,23,25)