4-cyano-5-(2-ethylbutanoylamino)-N,3-dimethyl-N-(phenylmethyl)thiophene-2-carboxamide

Systemtic Name: 4-cyano-5-(2-ethylbutanoylamino)-N,3-dimethyl-N-(phenylmethyl)thiophene-2-carboxamide Openeye Name: N-benzyl-4-cyano-5-(2-ethylbutanoylamino)-N,3-dimethyl-thiophene-2-carboxamide CAS Name: 4-cyano-5-[(2-ethyl-1-oxobutyl)amino]-N,3-dimethyl-N-(phenylmethyl)-2-thiophenecarboxamide IUPAC Name: N-benzyl-4-cyano-5-(2-ethylbutanoylamino)-N,3-dimethylthiophene-2-carboxamide Traditional Name: N-benzyl-4-cyano-5-(2-ethylbutanoylamino)-N,3-dimethyl-thiophene-2-carboxamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=C(C(=C(S1)C(=O)N(C)CC2=CC=CC=C2)C)C#N

Isomeric SMILES

CCC(CC)C(=O)NC1=C(C(=C(S1)C(=O)N(C)CC2=CC=CC=C2)C)C#N

InChI

InChI=1S/C21H25N3O2S/c1-5-16(6-2)19(25)23-20-17(12-22)14(3)18(27-20)21(26)24(4)13-15-10-8-7-9-11-15/h7-11,16H,5-6,13H2,1-4H3,(H,23,25)