N-(3-chloranyl-4-methoxy-phenyl)-4-(3-methylbutylsulfanyl)-3-nitro-benzamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-4-isopentylsulfanyl-3-nitro-benzamide CAS Name: N-(3-chloro-4-methoxyphenyl)-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-4-(isoamylthio)-3-nitro-benzamide Formula: C19H21ClN2O4S MolecularWeight: 408.89904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2O4S/c1-12(2)8-9-27-18-7-4-13(10-16(18)22(24)25)19(23)21-14-5-6-17(26-3)15(20)11-14/h4-7,10-12H,8-9H2,1-3H3,(H,21,23)