2-[(E)-1-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)ethenyl]sulfanyl-N-cycloheptyl-ethanamide

Systemtic Name: 2-[(E)-1-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)ethenyl]sulfanyl-N-cycloheptyl-ethanamide Openeye Name: 2-[(E)-1-(1,3-benzothiazol-2-yl)-2-(2-furyl)vinyl]sulfanyl-N-cycloheptyl-acetamide CAS Name: 2-[[(E)-1-(1,3-benzothiazol-2-yl)-2-(2-furanyl)ethenyl]thio]-N-cycloheptylacetamide IUPAC Name: 2-[(E)-1-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)ethenyl]sulfanyl-N-cycloheptylacetamide Traditional Name: 2-[[(E)-1-(1,3-benzothiazol-2-yl)-2-(2-furyl)vinyl]thio]-N-cycloheptyl-acetamide Formula: C22H24N2O2S2 MolecularWeight: 412.56816

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)CSC(=CC2=CC=CO2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCCC(CC1)NC(=O)CS/C(=C/C2=CC=CO2)/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H24N2O2S2/c25-21(23-16-8-3-1-2-4-9-16)15-27-20(14-17-10-7-13-26-17)22-24-18-11-5-6-12-19(18)28-22/h5-7,10-14,16H,1-4,8-9,15H2,(H,23,25)/b20-14+