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

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-[(4-tert-butylphenyl)carbonylamino]-4-methyl-thiophene-3-carboxamide Openeye Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-[(4-tert-butylbenzoyl)amino]-4-methyl-thiophene-3-carboxamide CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-methyl-3-thiophenecarboxamide IUPAC Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-[(4-tert-butylbenzoyl)amino]-4-methylthiophene-3-carboxamide Traditional Name: 2-[(4-tert-butylbenzoyl)amino]-4-methyl-5-piperonyl-thiophene-3-carboxamide Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O4S/c1-14-20(12-15-5-10-18-19(11-15)31-13-30-18)32-24(21(14)22(26)28)27-23(29)16-6-8-17(9-7-16)25(2,3)4/h5-11H,12-13H2,1-4H3,(H2,26,28)(H,27,29)