N-[3-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]thiophene-2-carboxamide Openeye Name: N-[3-[1-methyl-2-(4-nitroanilino)-2-oxo-ethyl]sulfanylphenyl]thiophene-2-carboxamide CAS Name: N-[3-[[1-(4-nitroanilino)-1-oxopropan-2-yl]thio]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[1-(4-nitroanilino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide Traditional Name: N-[3-[[2-keto-1-methyl-2-(4-nitroanilino)ethyl]thio]phenyl]thiophene-2-carboxamide Formula: C20H17N3O4S2 MolecularWeight: 427.49668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=CC=CC(=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=CC=CC(=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C20H17N3O4S2/c1-13(19(24)21-14-7-9-16(10-8-14)23(26)27)29-17-5-2-4-15(12-17)22-20(25)18-6-3-11-28-18/h2-13H,1H3,(H,21,24)(H,22,25)