4-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[cyclohexyl-(4-fluorobenzyl)amino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C22H24FN3O4S MolecularWeight: 445.507063

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CC2=CC=C(C=C2)F)C(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)N(CC2=CC=C(C=C2)F)C(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C22H24FN3O4S/c23-17-9-6-15(7-10-17)13-25(18-4-2-1-3-5-18)21(27)14-31-20-11-8-16(22(24)28)12-19(20)26(29)30/h6-12,18H,1-5,13-14H2,(H2,24,28)