2-[2-[2,2-dimethylpropanoyl-(phenylmethyl)amino]ethanoylamino]-4,5-dimethyl-thiophene-3-carboxamide

Systemtic Name: 2-[2-[2,2-dimethylpropanoyl-(phenylmethyl)amino]ethanoylamino]-4,5-dimethyl-thiophene-3-carboxamide Openeye Name: 2-[[2-[benzyl(2,2-dimethylpropanoyl)amino]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxamide CAS Name: 2-[[2-[(2,2-dimethyl-1-oxopropyl)-(phenylmethyl)amino]-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxamide IUPAC Name: 2-[[2-[benzyl(2,2-dimethylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide Traditional Name: 2-[[2-[benzyl(pivaloyl)amino]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=O)CN(CC2=CC=CC=C2)C(=O)C(C)(C)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=O)CN(CC2=CC=CC=C2)C(=O)C(C)(C)C)C

InChI

InChI=1S/C21H27N3O3S/c1-13-14(2)28-19(17(13)18(22)26)23-16(25)12-24(20(27)21(3,4)5)11-15-9-7-6-8-10-15/h6-10H,11-12H2,1-5H3,(H2,22,26)(H,23,25)