1-[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-3-yl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-3-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-3-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-piperidinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-3-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)nipecotoyl]isonipecotamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3CCCC(C3)C(=O)N4CCC(CC4)C(=O)N)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3CCCC(C3)C(=O)N4CCC(CC4)C(=O)N)C

InChI

InChI=1S/C21H28N4O2S/c1-13-10-14(2)18-17(11-13)28-21(23-18)25-7-3-4-16(12-25)20(27)24-8-5-15(6-9-24)19(22)26/h10-11,15-16H,3-9,12H2,1-2H3,(H2,22,26)