N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide

Systemtic Name: N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide Openeye Name: N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)piperidine-2-carboxamide CAS Name: N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide Traditional Name: N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)pipecolinamide Formula: C21H25N3O3S3 MolecularWeight: 463.6365

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4)N2CC

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4)N2CC

InChI

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