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

Systemtic Name: 4-(3-methylbutylsulfanyl)-N-[3-(methylcarbamoyl)phenyl]-3-nitro-benzamide Openeye Name: 4-isopentylsulfanyl-N-[3-(methylcarbamoyl)phenyl]-3-nitro-benzamide CAS Name: 4-(3-methylbutylthio)-N-[3-(methylcarbamoyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-(3-methylbutylsulfanyl)-N-[3-(methylcarbamoyl)phenyl]-3-nitrobenzamide Traditional Name: 4-(isoamylthio)-N-[3-(methylcarbamoyl)phenyl]-3-nitro-benzamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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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)NC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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