N-butyl-2-[2-[(4-nitrophenyl)methylsulfanyl]ethanoylamino]benzamide

Systemtic Name: N-butyl-2-[2-[(4-nitrophenyl)methylsulfanyl]ethanoylamino]benzamide Openeye Name: N-butyl-2-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzamide CAS Name: N-butyl-2-[[2-[(4-nitrophenyl)methylthio]-1-oxoethyl]amino]benzamide IUPAC Name: N-butyl-2-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzamide Traditional Name: N-butyl-2-[[2-[(4-nitrobenzyl)thio]acetyl]amino]benzamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=CC=C1NC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)C1=CC=CC=C1NC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O4S/c1-2-3-12-21-20(25)17-6-4-5-7-18(17)22-19(24)14-28-13-15-8-10-16(11-9-15)23(26)27/h4-11H,2-3,12-14H2,1H3,(H,21,25)(H,22,24)