N-(1,3-benzodioxol-5-ylmethyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide Traditional Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-piperonyl-nipecotamide Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3CCCC(C3)C(=O)NCC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3CCCC(C3)C(=O)NCC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C23H25N3O3S/c1-14-8-15(2)21-20(9-14)30-23(25-21)26-7-3-4-17(12-26)22(27)24-11-16-5-6-18-19(10-16)29-13-28-18/h5-6,8-10,17H,3-4,7,11-13H2,1-2H3,(H,24,27)