5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-methylphenyl)carbonylamino]thiophene-3-carboxamide

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-methylphenyl)carbonylamino]thiophene-3-carboxamide Openeye Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxamide CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[(4-methylphenyl)-oxomethyl]amino]-3-thiophenecarboxamide IUPAC Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxamide Traditional Name: 4-methyl-5-piperonyl-2-(p-toluoylamino)thiophene-3-carboxamide Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(C(=C(S2)CC3=CC4=C(C=C3)OCO4)C)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(C(=C(S2)CC3=CC4=C(C=C3)OCO4)C)C(=O)N

InChI

InChI=1S/C22H20N2O4S/c1-12-3-6-15(7-4-12)21(26)24-22-19(20(23)25)13(2)18(29-22)10-14-5-8-16-17(9-14)28-11-27-16/h3-9H,10-11H2,1-2H3,(H2,23,25)(H,24,26)