1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide

Systemtic Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide Openeye Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(1-methyl-3-phenyl-propyl)piperidine-3-carboxamide CAS Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(4-phenylbutan-2-yl)-3-piperidinecarboxamide IUPAC Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide Traditional Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(1-methyl-3-phenyl-propyl)nipecotamide Formula: C25H31N3OS MolecularWeight: 421.59814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3CCCC(C3)C(=O)NC(C)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3CCCC(C3)C(=O)NC(C)CCC4=CC=CC=C4)C

InChI

InChI=1S/C25H31N3OS/c1-17-14-18(2)23-22(15-17)30-25(27-23)28-13-7-10-21(16-28)24(29)26-19(3)11-12-20-8-5-4-6-9-20/h4-6,8-9,14-15,19,21H,7,10-13,16H2,1-3H3,(H,26,29)