N-[3-methyl-1-[4-(2-nitrophenyl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[3-methyl-1-[4-(2-nitrophenyl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide Openeye Name: N-[2-methyl-1-[4-(2-nitrophenyl)piperazine-1-carbonyl]propyl]thiophene-2-carboxamide CAS Name: N-[3-methyl-1-[4-(2-nitrophenyl)-1-piperazinyl]-1-oxobutan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[3-methyl-1-[4-(2-nitrophenyl)piperazin-1-yl]-1-oxobutan-2-yl]thiophene-2-carboxamide Traditional Name: N-[2-methyl-1-[4-(2-nitrophenyl)piperazine-1-carbonyl]propyl]thiophene-2-carboxamide Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)C2=CC=CC=C2[N+](=O)[O-])NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)C(C(=O)N1CCN(CC1)C2=CC=CC=C2[N+](=O)[O-])NC(=O)C3=CC=CS3

InChI

InChI=1S/C20H24N4O4S/c1-14(2)18(21-19(25)17-8-5-13-29-17)20(26)23-11-9-22(10-12-23)15-6-3-4-7-16(15)24(27)28/h3-8,13-14,18H,9-12H2,1-2H3,(H,21,25)