2-[3-[(2S)-2-methylpiperidin-1-yl]cyclobutyl]-N-(phenylmethyl)-1,3-benzothiazole-6-carboxamide

Systemtic Name: 2-[3-[(2S)-2-methylpiperidin-1-yl]cyclobutyl]-N-(phenylmethyl)-1,3-benzothiazole-6-carboxamide Openeye Name: N-benzyl-2-[3-[(2S)-2-methyl-1-piperidyl]cyclobutyl]-1,3-benzothiazole-6-carboxamide CAS Name: 2-[3-[(2S)-2-methyl-1-piperidinyl]cyclobutyl]-N-(phenylmethyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-benzyl-2-[3-[(2S)-2-methylpiperidin-1-yl]cyclobutyl]-1,3-benzothiazole-6-carboxamide Traditional Name: N-benzyl-2-[3-[(2S)-2-methylpiperidino]cyclobutyl]-1,3-benzothiazole-6-carboxamide Formula: C25H29N3OS MolecularWeight: 419.58226

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2CC(C2)C3=NC4=C(S3)C=C(C=C4)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

C[C@H]1CCCCN1C2CC(C2)C3=NC4=C(S3)C=C(C=C4)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C25H29N3OS/c1-17-7-5-6-12-28(17)21-13-20(14-21)25-27-22-11-10-19(15-23(22)30-25)24(29)26-16-18-8-3-2-4-9-18/h2-4,8-11,15,17,20-21H,5-7,12-14,16H2,1H3,(H,26,29)/t17-,20?,21?/m0/s1