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

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-[(4-bromophenyl)carbonylamino]-4-methyl-thiophene-3-carboxamide Openeye Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-[(4-bromobenzoyl)amino]-4-methyl-thiophene-3-carboxamide CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-[[(4-bromophenyl)-oxomethyl]amino]-4-methyl-3-thiophenecarboxamide IUPAC Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-[(4-bromobenzoyl)amino]-4-methylthiophene-3-carboxamide Traditional Name: 2-[(4-bromobenzoyl)amino]-4-methyl-5-piperonyl-thiophene-3-carboxamide Formula: C21H17BrN2O4S MolecularWeight: 473.33968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN2O4S/c1-11-17(9-12-2-7-15-16(8-12)28-10-27-15)29-21(18(11)19(23)25)24-20(26)13-3-5-14(22)6-4-13/h2-8H,9-10H2,1H3,(H2,23,25)(H,24,26)