N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-7-(5-methylthiophen-2-yl)-4,7-bis(oxidanylidene)heptanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-7-(5-methylthiophen-2-yl)-4,7-bis(oxidanylidene)heptanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-7-(5-methyl-2-thienyl)-4,7-dioxo-heptanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-7-(5-methyl-2-thiophenyl)-4,7-dioxoheptanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide Traditional Name: 4,7-diketo-N-methyl-7-(5-methyl-2-thienyl)-N-piperonyl-enanthamide Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)CCC(=O)N(C)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)CCC(=O)N(C)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H23NO5S/c1-14-3-9-20(28-14)17(24)7-5-16(23)6-10-21(25)22(2)12-15-4-8-18-19(11-15)27-13-26-18/h3-4,8-9,11H,5-7,10,12-13H2,1-2H3