(3S)-N3-(2-methyl-1,3-benzothiazol-6-yl)-N1-phenyl-piperidine-1,3-dicarboxamide

Systemtic Name: (3S)-N3-(2-methyl-1,3-benzothiazol-6-yl)-N1-phenyl-piperidine-1,3-dicarboxamide Openeye Name: (3S)-N3-(2-methyl-1,3-benzothiazol-6-yl)-N1-phenyl-piperidine-1,3-dicarboxamide CAS Name: (3S)-N3-(2-methyl-1,3-benzothiazol-6-yl)-N1-phenylpiperidine-1,3-dicarboxamide IUPAC Name: (3S)-3-N-(2-methyl-1,3-benzothiazol-6-yl)-1-N-phenylpiperidine-1,3-dicarboxamide Traditional Name: (3S)-N'-(2-methyl-1,3-benzothiazol-6-yl)-N-phenyl-piperidine-1,3-dicarboxamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCCN(C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)[C@H]3CCCN(C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O2S/c1-14-22-18-10-9-17(12-19(18)28-14)23-20(26)15-6-5-11-25(13-15)21(27)24-16-7-3-2-4-8-16/h2-4,7-10,12,15H,5-6,11,13H2,1H3,(H,23,26)(H,24,27)/t15-/m0/s1