N-[2-[(4-cyclopentylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[2-[(4-cyclopentylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[2-(4-cyclopentylsulfanylanilino)-2-oxo-ethyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[2-[4-(cyclopentylthio)anilino]-2-oxoethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[2-(4-cyclopentylsulfanylanilino)-2-oxoethyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[2-[4-(cyclopentylthio)anilino]-2-keto-ethyl]-4-methoxy-3-nitro-benzamide Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=CC=C(C=C2)SC3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=CC=C(C=C2)SC3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5S/c1-29-19-11-6-14(12-18(19)24(27)28)21(26)22-13-20(25)23-15-7-9-17(10-8-15)30-16-4-2-3-5-16/h6-12,16H,2-5,13H2,1H3,(H,22,26)(H,23,25)