N-(2-ethoxyphenyl)-4-(3-methylbutylsulfanyl)-3-nitro-benzamide

Systemtic Name: N-(2-ethoxyphenyl)-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: N-(2-ethoxyphenyl)-4-isopentylsulfanyl-3-nitro-benzamide CAS Name: N-(2-ethoxyphenyl)-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-(2-ethoxyphenyl)-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: 4-(isoamylthio)-3-nitro-N-o-phenetyl-benzamide Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)SCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)SCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H24N2O4S/c1-4-26-18-8-6-5-7-16(18)21-20(23)15-9-10-19(17(13-15)22(24)25)27-12-11-14(2)3/h5-10,13-14H,4,11-12H2,1-3H3,(H,21,23)