N-[2,5-bis(chloranyl)phenyl]-2-(3-methylbutanoylamino)-4-phenyl-thiophene-3-carboxamide

Systemtic Name: N-[2,5-bis(chloranyl)phenyl]-2-(3-methylbutanoylamino)-4-phenyl-thiophene-3-carboxamide Openeye Name: N-(2,5-dichlorophenyl)-2-(3-methylbutanoylamino)-4-phenyl-thiophene-3-carboxamide CAS Name: N-(2,5-dichlorophenyl)-2-[(3-methyl-1-oxobutyl)amino]-4-phenyl-3-thiophenecarboxamide IUPAC Name: N-(2,5-dichlorophenyl)-2-(3-methylbutanoylamino)-4-phenylthiophene-3-carboxamide Traditional Name: N-(2,5-dichlorophenyl)-2-(isovalerylamino)-4-phenyl-thiophene-3-carboxamide Formula: C22H20Cl2N2O2S MolecularWeight: 447.3774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)Cl)Cl

Isomeric SMILES

CC(C)CC(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)Cl)Cl

InChI

InChI=1S/C22H20Cl2N2O2S/c1-13(2)10-19(27)26-22-20(16(12-29-22)14-6-4-3-5-7-14)21(28)25-18-11-15(23)8-9-17(18)24/h3-9,11-13H,10H2,1-2H3,(H,25,28)(H,26,27)