N-(4-chloranyl-2-fluoranyl-phenyl)-4-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-4-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: N-(4-chloro-2-fluoro-phenyl)-4-[2-(isopentylamino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: N-(4-chloro-2-fluorophenyl)-4-[[2-(3-methylbutylamino)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: N-(4-chloro-2-fluorophenyl)-4-[2-(3-methylbutylamino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: N-(4-chloro-2-fluoro-phenyl)-4-[[2-(isoamylamino)-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C20H21ClFN3O4S MolecularWeight: 453.914843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CSC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)Cl)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC(=O)CSC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)Cl)F)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClFN3O4S/c1-12(2)7-8-23-19(26)11-30-18-6-3-13(9-17(18)25(28)29)20(27)24-16-5-4-14(21)10-15(16)22/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,23,26)(H,24,27)