N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide

Systemtic Name: N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide Openeye Name: N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)piperidine-2-carboxamide CAS Name: N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide Traditional Name: N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)pipecolinamide Formula: C21H25N3O3S3 MolecularWeight: 463.6365

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC(=CC(=C2SC1=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4)C)C

Isomeric SMILES

CCN1C2=CC(=CC(=C2SC1=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4)C)C

InChI

InChI=1S/C21H25N3O3S3/c1-4-23-17-13-14(2)12-15(3)19(17)29-21(23)22-20(25)16-8-5-6-10-24(16)30(26,27)18-9-7-11-28-18/h7,9,11-13,16H,4-6,8,10H2,1-3H3