(3S)-1-[2-[5-chloranyl-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethanoyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-[2-[5-chloranyl-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethanoyl]piperidine-3-carboxamide Openeye Name: (3S)-1-[2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-3-carboxamide CAS Name: (3S)-1-[2-[[5-chloro-1-(2-methoxyethyl)-2-benzimidazolyl]thio]-1-oxoethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-[2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-3-carboxamide Traditional Name: (3S)-1-[2-[[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]thio]acetyl]nipecotamide Formula: C18H23ClN4O3S MolecularWeight: 410.91822

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N3CCCC(C3)C(=O)N

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N3CCC[C@@H](C3)C(=O)N

InChI

InChI=1S/C18H23ClN4O3S/c1-26-8-7-23-15-5-4-13(19)9-14(15)21-18(23)27-11-16(24)22-6-2-3-12(10-22)17(20)25/h4-5,9,12H,2-3,6-8,10-11H2,1H3,(H2,20,25)/t12-/m0/s1