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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=C(S1)CC2=CC3=C(C=C2)OCO3)C)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCC(=O)NC1=C(C(=C(S1)CC2=CC3=C(C=C2)OCO3)C)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H20N2O3S2/c1-3-20(26)25-23-21(22-24-15-6-4-5-7-18(15)29-22)13(2)19(30-23)11-14-8-9-16-17(10-14)28-12-27-16/h4-10H,3,11-12H2,1-2H3,(H,25,26)