N-(6-butyl-1,3-benzothiazol-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide

Systemtic Name: N-(6-butyl-1,3-benzothiazol-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide Openeye Name: N-(6-butyl-1,3-benzothiazol-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide CAS Name: N-(6-butyl-1,3-benzothiazol-2-yl)-1-(2-methyl-1-oxopropyl)-4-piperidinecarboxamide IUPAC Name: N-(6-butyl-1,3-benzothiazol-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide Traditional Name: N-(6-butyl-1,3-benzothiazol-2-yl)-1-isobutyryl-isonipecotamide Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)C(=O)C(C)C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)C(=O)C(C)C

InChI

InChI=1S/C21H29N3O2S/c1-4-5-6-15-7-8-17-18(13-15)27-21(22-17)23-19(25)16-9-11-24(12-10-16)20(26)14(2)3/h7-8,13-14,16H,4-6,9-12H2,1-3H3,(H,22,23,25)