5-[(3-bromophenyl)carbonylamino]-4-cyano-N,N-diethyl-3-methyl-thiophene-2-carboxamide

Systemtic Name: 5-[(3-bromophenyl)carbonylamino]-4-cyano-N,N-diethyl-3-methyl-thiophene-2-carboxamide Openeye Name: 5-[(3-bromobenzoyl)amino]-4-cyano-N,N-diethyl-3-methyl-thiophene-2-carboxamide CAS Name: 5-[[(3-bromophenyl)-oxomethyl]amino]-4-cyano-N,N-diethyl-3-methyl-2-thiophenecarboxamide IUPAC Name: 5-[(3-bromobenzoyl)amino]-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide Traditional Name: 5-[(3-bromobenzoyl)amino]-4-cyano-N,N-diethyl-3-methyl-thiophene-2-carboxamide Formula: C18H18BrN3O2S MolecularWeight: 420.32342

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=CC=C2)Br)C#N)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=CC=C2)Br)C#N)C

InChI

InChI=1S/C18H18BrN3O2S/c1-4-22(5-2)18(24)15-11(3)14(10-20)17(25-15)21-16(23)12-7-6-8-13(19)9-12/h6-9H,4-5H2,1-3H3,(H,21,23)