2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-[(2S)-butan-2-yl]phenyl]ethanamide

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-[(2S)-butan-2-yl]phenyl]ethanamide Openeye Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-[(1S)-1-methylpropyl]phenyl]acetamide CAS Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide IUPAC Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide Traditional Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]-N-[2-[(1S)-1-methylpropyl]phenyl]acetamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)CSC2=NN=C(O2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=O)CSC2=NN=C(O2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N3O4S/c1-3-13(2)15-6-4-5-7-16(15)22-19(25)11-29-21-24-23-20(28-21)14-8-9-17-18(10-14)27-12-26-17/h4-10,13H,3,11-12H2,1-2H3,(H,22,25)/t13-/m0/s1