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

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-phenylphenyl)carbonylamino]thiophene-3-carboxamide Openeye Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-phenylbenzoyl)amino]thiophene-3-carboxamide CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[oxo-(4-phenylphenyl)methyl]amino]-3-thiophenecarboxamide IUPAC Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-phenylbenzoyl)amino]thiophene-3-carboxamide Traditional Name: 4-methyl-2-[(4-phenylbenzoyl)amino]-5-piperonyl-thiophene-3-carboxamide Formula: C27H22N2O4S MolecularWeight: 470.53958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H22N2O4S/c1-16-23(14-17-7-12-21-22(13-17)33-15-32-21)34-27(24(16)25(28)30)29-26(31)20-10-8-19(9-11-20)18-5-3-2-4-6-18/h2-13H,14-15H2,1H3,(H2,28,30)(H,29,31)