N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-pyrazin-2-yl-piperidine-3-carboxamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-pyrazin-2-yl-piperidine-3-carboxamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-pyrazin-2-yl-piperidine-3-carboxamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-1-(2-pyrazinyl)-3-piperidinecarboxamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-1-pyrazin-2-ylpiperidine-3-carboxamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-1-pyrazin-2-yl-nipecotamide Formula: C21H26N6OS MolecularWeight: 410.53574

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3CCCN(C3)C4=NC=CN=C4

Isomeric SMILES

CSCC[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)C3CCCN(C3)C4=NC=CN=C4

InChI

InChI=1S/C21H26N6OS/c1-29-12-8-18(20-24-16-6-2-3-7-17(16)25-20)26-21(28)15-5-4-11-27(14-15)19-13-22-9-10-23-19/h2-3,6-7,9-10,13,15,18H,4-5,8,11-12,14H2,1H3,(H,24,25)(H,26,28)/t15?,18-/m0/s1