4-chloranyl-N-cyclohexyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-cyclohexyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-cyclohexyl-N-[2-[(4-fluorophenyl)methyl-(2-thienylmethyl)amino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: 4-chloro-N-cyclohexyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-cyclohexyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-cyclohexyl-N-[2-[(4-fluorobenzyl)-(2-thenyl)amino]-2-keto-ethyl]-3-nitro-benzamide Formula: C27H27ClFN3O4S MolecularWeight: 544.037383

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CC(=O)N(CC2=CC=C(C=C2)F)CC3=CC=CS3)C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)N(CC(=O)N(CC2=CC=C(C=C2)F)CC3=CC=CS3)C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C27H27ClFN3O4S/c28-24-13-10-20(15-25(24)32(35)36)27(34)31(22-5-2-1-3-6-22)18-26(33)30(17-23-7-4-14-37-23)16-19-8-11-21(29)12-9-19/h4,7-15,22H,1-3,5-6,16-18H2