1-(2-methylphenyl)carbonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide

Systemtic Name: 1-(2-methylphenyl)carbonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide Openeye Name: 1-(2-methylbenzoyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide CAS Name: 1-[(2-methylphenyl)-oxomethyl]-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-4-piperidinecarboxamide IUPAC Name: 1-(2-methylbenzoyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide Traditional Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-1-o-toluoyl-isonipecotamide Formula: C22H23N3O2S2 MolecularWeight: 425.56692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)N=C(S4)SC

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)N=C(S4)SC

InChI

InChI=1S/C22H23N3O2S2/c1-14-5-3-4-6-17(14)21(27)25-11-9-15(10-12-25)20(26)23-16-7-8-18-19(13-16)29-22(24-18)28-2/h3-8,13,15H,9-12H2,1-2H3,(H,23,26)