N-(1,3-benzodioxol-5-ylmethyl)-2-(2-phenacylsulfanyl-1,3-thiazol-4-yl)ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-phenacylsulfanyl-1,3-thiazol-4-yl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-phenacylsulfanylthiazol-4-yl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(phenacylthio)-4-thiazolyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-phenacylsulfanyl-1,3-thiazol-4-yl)acetamide Traditional Name: 2-[2-(phenacylthio)thiazol-4-yl]-N-piperonyl-acetamide Formula: C21H18N2O4S2 MolecularWeight: 426.50862

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CC3=CSC(=N3)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CC3=CSC(=N3)SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H18N2O4S2/c24-17(15-4-2-1-3-5-15)12-29-21-23-16(11-28-21)9-20(25)22-10-14-6-7-18-19(8-14)27-13-26-18/h1-8,11H,9-10,12-13H2,(H,22,25)