2-(2-cyanophenyl)sulfanyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide

Systemtic Name: 2-(2-cyanophenyl)sulfanyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide Openeye Name: 2-(2-cyanophenyl)sulfanyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide CAS Name: 2-[(2-cyanophenyl)thio]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide IUPAC Name: 2-(2-cyanophenyl)sulfanyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide Traditional Name: 2-[(2-cyanophenyl)thio]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide Formula: C23H18N2O3S MolecularWeight: 402.46562

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)CNC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

InChI

InChI=1S/C23H18N2O3S/c24-13-16-7-1-5-11-21(16)29-22-12-6-2-8-18(22)23(26)25-14-17-15-27-19-9-3-4-10-20(19)28-17/h1-12,17H,14-15H2,(H,25,26)/t17-/m0/s1