2-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(1,3-benzodioxol-5-yl)ethanamide

Systemtic Name: 2-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(1,3-benzodioxol-5-yl)ethanamide Openeye Name: 2-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(1,3-benzodioxol-5-yl)acetamide CAS Name: 2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]thio]-N-(1,3-benzodioxol-5-yl)acetamide IUPAC Name: 2-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(1,3-benzodioxol-5-yl)acetamide Traditional Name: 2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]thio]-N-(1,3-benzodioxol-5-yl)acetamide Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2N1)SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@@H](C1=NC2=CC=CC=C2N1)SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H17N3O3S/c1-11(18-20-13-4-2-3-5-14(13)21-18)25-9-17(22)19-12-6-7-15-16(8-12)24-10-23-15/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,21)/t11-/m0/s1