N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-1-thiophen-2-ylcarbonyl-piperidine-4-carboxamide

Systemtic Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-1-thiophen-2-ylcarbonyl-piperidine-4-carboxamide Openeye Name: N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide CAS Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-[oxo(thiophen-2-yl)methyl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide Traditional Name: N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-(2-thenoyl)isonipecotamide Formula: C27H27N3O2S2 MolecularWeight: 489.65218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)C4CCN(CC4)C(=O)C5=CC=CS5)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)C4CCN(CC4)C(=O)C5=CC=CS5)C

InChI

InChI=1S/C27H27N3O2S2/c1-18-15-19(2)24-22(16-18)28-27(34-24)30(17-20-7-4-3-5-8-20)25(31)21-10-12-29(13-11-21)26(32)23-9-6-14-33-23/h3-9,14-16,21H,10-13,17H2,1-2H3