N-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide

Systemtic Name: N-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide Openeye Name: N-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]-1-(2-thienylsulfonyl)piperidine-2-carboxamide CAS Name: N-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]-1-thiophen-2-ylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide Traditional Name: N-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]-1-(2-thienylsulfonyl)pipecolinamide Formula: C23H21N3O4S3 MolecularWeight: 499.62554

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)NC2=CC(=O)C(=C3NC4=CC=CC=C4S3)C=C2)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CCN(C(C1)C(=O)NC2=CC(=O)/C(=C/3\NC4=CC=CC=C4S3)/C=C2)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C23H21N3O4S3/c27-19-14-15(10-11-16(19)23-25-17-6-1-2-8-20(17)32-23)24-22(28)18-7-3-4-12-26(18)33(29,30)21-9-5-13-31-21/h1-2,5-6,8-11,13-14,18,25H,3-4,7,12H2,(H,24,28)/b23-16+