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

Systemtic Name: N-[3-(ethylcarbamoyl)phenyl]-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: N-[3-(ethylcarbamoyl)phenyl]-4-isopentylsulfanyl-3-nitro-benzamide CAS Name: N-[3-(ethylcarbamoyl)phenyl]-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-[3-(ethylcarbamoyl)phenyl]-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: N-[3-(ethylcarbamoyl)phenyl]-4-(isoamylthio)-3-nitro-benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)SCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCNC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)SCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4S/c1-4-22-20(25)15-6-5-7-17(12-15)23-21(26)16-8-9-19(18(13-16)24(27)28)29-11-10-14(2)3/h5-9,12-14H,4,10-11H2,1-3H3,(H,22,25)(H,23,26)