N-[3-[2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoylamino]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoylamino]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[[2-(4-carbamoyl-2-nitro-phenyl)sulfanylacetyl]amino]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[2-[(4-carbamoyl-2-nitrophenyl)thio]-1-oxoethyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[[2-(4-carbamoyl-2-nitrophenyl)sulfanylacetyl]amino]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[[2-[(4-carbamoyl-2-nitro-phenyl)thio]acetyl]amino]phenyl]thiophene-2-carboxamide Formula: C20H16N4O5S2 MolecularWeight: 456.49484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])NC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])NC(=O)C3=CC=CS3

InChI

InChI=1S/C20H16N4O5S2/c21-19(26)12-6-7-16(15(9-12)24(28)29)31-11-18(25)22-13-3-1-4-14(10-13)23-20(27)17-5-2-8-30-17/h1-10H,11H2,(H2,21,26)(H,22,25)(H,23,27)