N-[3-(2-methoxyethanoylamino)phenyl]-4-(3-methylbutylsulfanyl)-3-nitro-benzamide

Systemtic Name: N-[3-(2-methoxyethanoylamino)phenyl]-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: 4-isopentylsulfanyl-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-nitro-benzamide CAS Name: N-[3-[(2-methoxy-1-oxoethyl)amino]phenyl]-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-[3-[(2-methoxyacetyl)amino]phenyl]-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: 4-(isoamylthio)-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-nitro-benzamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=O)COC)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=O)COC)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5S/c1-14(2)9-10-30-19-8-7-15(11-18(19)24(27)28)21(26)23-17-6-4-5-16(12-17)22-20(25)13-29-3/h4-8,11-12,14H,9-10,13H2,1-3H3,(H,22,25)(H,23,26)