2-[2-[cyclobutylcarbonyl(phenethyl)amino]ethanoylamino]-4,5-dimethyl-thiophene-3-carboxamide

Systemtic Name: 2-[2-[cyclobutylcarbonyl(phenethyl)amino]ethanoylamino]-4,5-dimethyl-thiophene-3-carboxamide Openeye Name: 2-[[2-[cyclobutanecarbonyl(phenethyl)amino]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxamide CAS Name: 2-[[2-[[cyclobutyl(oxo)methyl]-phenethylamino]-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxamide IUPAC Name: 2-[[2-[cyclobutanecarbonyl(phenethyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide Traditional Name: 2-[[2-[cyclobutanecarbonyl(phenethyl)amino]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=O)CN(CCC2=CC=CC=C2)C(=O)C3CCC3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=O)CN(CCC2=CC=CC=C2)C(=O)C3CCC3)C

InChI

InChI=1S/C22H27N3O3S/c1-14-15(2)29-21(19(14)20(23)27)24-18(26)13-25(22(28)17-9-6-10-17)12-11-16-7-4-3-5-8-16/h3-5,7-8,17H,6,9-13H2,1-2H3,(H2,23,27)(H,24,26)