1-(4-chlorophenyl)carbonyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-(4-chlorophenyl)carbonyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-(4-chlorobenzoyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-(4-chlorobenzoyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: N-benzyl-1-(4-chlorobenzoyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)isonipecotamide Formula: C29H28ClN3O2S MolecularWeight: 518.06952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4CCN(CC4)C(=O)C5=CC=C(C=C5)Cl)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4CCN(CC4)C(=O)C5=CC=C(C=C5)Cl)C

InChI

InChI=1S/C29H28ClN3O2S/c1-19-16-20(2)26-25(17-19)36-29(31-26)33(18-21-6-4-3-5-7-21)28(35)23-12-14-32(15-13-23)27(34)22-8-10-24(30)11-9-22/h3-11,16-17,23H,12-15,18H2,1-2H3