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

Systemtic Name: 4-cyano-N,N-diethyl-5-[(3-iodanylphenyl)carbonylamino]-3-methyl-thiophene-2-carboxamide Openeye Name: 4-cyano-N,N-diethyl-5-[(3-iodobenzoyl)amino]-3-methyl-thiophene-2-carboxamide CAS Name: 4-cyano-N,N-diethyl-5-[[(3-iodophenyl)-oxomethyl]amino]-3-methyl-2-thiophenecarboxamide IUPAC Name: 4-cyano-N,N-diethyl-5-[(3-iodobenzoyl)amino]-3-methylthiophene-2-carboxamide Traditional Name: 4-cyano-N,N-diethyl-5-[(3-iodobenzoyl)amino]-3-methyl-thiophene-2-carboxamide Formula: C18H18IN3O2S MolecularWeight: 467.32389

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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)I)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C18H18IN3O2S/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)