(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-ethyl-2-benzimidazolyl)thio]propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide Traditional Name: (2R)-2-[(1-ethylbenzimidazol-2-yl)thio]-N-piperonyl-propionamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SC(C)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1S[C@H](C)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21N3O3S/c1-3-23-16-7-5-4-6-15(16)22-20(23)27-13(2)19(24)21-11-14-8-9-17-18(10-14)26-12-25-17/h4-10,13H,3,11-12H2,1-2H3,(H,21,24)/t13-/m1/s1