N-(1,3-benzothiazol-2-yl)-1-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-1-[2-(3,5-dimethylanilino)-2-oxo-ethyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-1-[2-(3,5-dimethylanilino)-2-oxoethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-1-[2-(3,5-dimethylanilino)-2-keto-ethyl]isonipecotamide Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C23H26N4O2S/c1-15-11-16(2)13-18(12-15)24-21(28)14-27-9-7-17(8-10-27)22(29)26-23-25-19-5-3-4-6-20(19)30-23/h3-6,11-13,17H,7-10,14H2,1-2H3,(H,24,28)(H,25,26,29)