N-(3-aminocarbonylphenyl)-4-(3-methylbutylsulfanyl)-3-nitro-benzamide

Systemtic Name: N-(3-aminocarbonylphenyl)-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: N-(3-carbamoylphenyl)-4-isopentylsulfanyl-3-nitro-benzamide CAS Name: N-(3-carbamoylphenyl)-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-(3-carbamoylphenyl)-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: N-(3-carbamoylphenyl)-4-(isoamylthio)-3-nitro-benzamide Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4S/c1-12(2)8-9-27-17-7-6-14(11-16(17)22(25)26)19(24)21-15-5-3-4-13(10-15)18(20)23/h3-7,10-12H,8-9H2,1-2H3,(H2,20,23)(H,21,24)