N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-nitro-4-phenylazanyl-benzamide

Systemtic Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-nitro-4-phenylazanyl-benzamide Openeye Name: 4-anilino-N-[2-(2-furylmethylsulfanyl)ethyl]-3-nitro-benzamide CAS Name: 4-anilino-N-[2-(2-furanylmethylthio)ethyl]-3-nitrobenzamide IUPAC Name: 4-anilino-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-nitrobenzamide Traditional Name: 4-anilino-N-[2-(2-furfurylthio)ethyl]-3-nitro-benzamide Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)NCCSCC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)NCCSCC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O4S/c24-20(21-10-12-28-14-17-7-4-11-27-17)15-8-9-18(19(13-15)23(25)26)22-16-5-2-1-3-6-16/h1-9,11,13,22H,10,12,14H2,(H,21,24)