N-[3-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanoylamino]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanoylamino]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]acetyl]amino]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[2-[(4-methoxy-3-nitrophenyl)methylthio]-1-oxoethyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[[2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetyl]amino]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[[2-[(4-methoxy-3-nitro-benzyl)thio]acetyl]amino]phenyl]thiophene-2-carboxamide Formula: C21H19N3O5S2 MolecularWeight: 457.52266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O5S2/c1-29-18-8-7-14(10-17(18)24(27)28)12-30-13-20(25)22-15-4-2-5-16(11-15)23-21(26)19-6-3-9-31-19/h2-11H,12-13H2,1H3,(H,22,25)(H,23,26)