(3S)-N3-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]piperidine-1,3-dicarboxamide

Systemtic Name: (3S)-N3-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]piperidine-1,3-dicarboxamide Openeye Name: (3S)-N3-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]piperidine-1,3-dicarboxamide CAS Name: (3S)-N3-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]piperidine-1,3-dicarboxamide IUPAC Name: (3S)-3-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]piperidine-1,3-dicarboxamide Traditional Name: (3S)-N'-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]piperidine-1,3-dicarboxamide Formula: C18H25N5O2S MolecularWeight: 375.4884

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3CCCN(C3)C(=O)N

Isomeric SMILES

CSCC[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)[C@H]3CCCN(C3)C(=O)N

InChI

InChI=1S/C18H25N5O2S/c1-26-10-8-15(16-20-13-6-2-3-7-14(13)21-16)22-17(24)12-5-4-9-23(11-12)18(19)25/h2-3,6-7,12,15H,4-5,8-11H2,1H3,(H2,19,25)(H,20,21)(H,22,24)/t12-,15-/m0/s1