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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3=CC(=C4NC5=CC=CC=C5S4)C(=O)C=C3

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3=C/C(=C\4/NC5=CC=CC=C5S4)/C(=O)C=C3

InChI

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