5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(2-phenylethanoylamino)thiophene-3-carboxamide

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(2-phenylethanoylamino)thiophene-3-carboxamide Openeye Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxamide CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(1-oxo-2-phenylethyl)amino]-3-thiophenecarboxamide IUPAC Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxamide Traditional Name: 4-methyl-2-[(2-phenylacetyl)amino]-5-piperonyl-thiophene-3-carboxamide Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=O)CC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=O)CC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H20N2O4S/c1-13-18(10-15-7-8-16-17(9-15)28-12-27-16)29-22(20(13)21(23)26)24-19(25)11-14-5-3-2-4-6-14/h2-9H,10-12H2,1H3,(H2,23,26)(H,24,25)