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

Systemtic Name: N-[3-methyl-1-[2-[(2-nitrophenyl)amino]ethylamino]-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide Openeye Name: N-[2-methyl-1-[2-(2-nitroanilino)ethylcarbamoyl]propyl]thiophene-2-carboxamide CAS Name: N-[3-methyl-1-[2-(2-nitroanilino)ethylamino]-1-oxobutan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[3-methyl-1-[2-(2-nitroanilino)ethylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide Traditional Name: N-[2-methyl-1-[2-(2-nitroanilino)ethylcarbamoyl]propyl]thiophene-2-carboxamide Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCNC1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=CC=CS2

Isomeric SMILES

CC(C)C(C(=O)NCCNC1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=CC=CS2

InChI

InChI=1S/C18H22N4O4S/c1-12(2)16(21-17(23)15-8-5-11-27-15)18(24)20-10-9-19-13-6-3-4-7-14(13)22(25)26/h3-8,11-12,16,19H,9-10H2,1-2H3,(H,20,24)(H,21,23)