N4-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-N1-propan-2-yl-piperidine-1,4-dicarboxamide

Systemtic Name: N4-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-N1-propan-2-yl-piperidine-1,4-dicarboxamide Openeye Name: N4-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-N1-isopropyl-piperidine-1,4-dicarboxamide CAS Name: N4-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-N1-propan-2-ylpiperidine-1,4-dicarboxamide IUPAC Name: 4-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide Traditional Name: N'-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-N-isopropyl-piperidine-1,4-dicarboxamide Formula: C21H31N5O2S MolecularWeight: 417.56814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N1CCC(CC1)C(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CC(C)NC(=O)N1CCC(CC1)C(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C21H31N5O2S/c1-14(2)22-21(28)26-11-8-15(9-12-26)20(27)25-18(10-13-29-3)19-23-16-6-4-5-7-17(16)24-19/h4-7,14-15,18H,8-13H2,1-3H3,(H,22,28)(H,23,24)(H,25,27)/t18-/m0/s1