N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-3-phenylsulfanyl-propanamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-3-phenylsulfanyl-propanamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thienyl]-3-phenylsulfanyl-propanamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thiophenyl]-3-(phenylthio)propanamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-3-phenylsulfanylpropanamide Traditional Name: N-(3-cyano-4-methyl-5-piperonyl-2-thienyl)-3-(phenylthio)propionamide Formula: C23H20N2O3S2 MolecularWeight: 436.5465

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)CCSC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)CCSC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H20N2O3S2/c1-15-18(13-24)23(25-22(26)9-10-29-17-5-3-2-4-6-17)30-21(15)12-16-7-8-19-20(11-16)28-14-27-19/h2-8,11H,9-10,12,14H2,1H3,(H,25,26)