N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(2-cyanophenyl)sulfanyl-benzamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(2-cyanophenyl)sulfanyl-benzamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(2-cyanophenyl)sulfanyl-benzamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[(2-cyanophenyl)thio]benzamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(2-cyanophenyl)sulfanylbenzamide Traditional Name: 2-[(2-cyanophenyl)thio]-N-homopiperonyl-benzamide Formula: C23H18N2O3S MolecularWeight: 402.46562

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCNC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCNC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

InChI

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