N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-methylsulfanyl-propanamide

Systemtic Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-methylsulfanyl-propanamide Openeye Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-3-methylsulfanyl-propanamide CAS Name: N-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-3-(methylthio)propanamide IUPAC Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-methylsulfanylpropanamide Traditional Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-3-(methylthio)propionamide Formula: C14H14N2O3S2 MolecularWeight: 322.40256

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)NC1=NC(=CS1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CSCCC(=O)NC1=NC(=CS1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H14N2O3S2/c1-20-5-4-13(17)16-14-15-10(7-21-14)9-2-3-11-12(6-9)19-8-18-11/h2-3,6-7H,4-5,8H2,1H3,(H,15,16,17)