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

Systemtic Name: N-cyclohexyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-4-nitro-benzamide Openeye Name: N-cyclohexyl-N-[2-[(4-fluorophenyl)methyl-(2-thienylmethyl)amino]-2-oxo-ethyl]-4-nitro-benzamide CAS Name: N-cyclohexyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-nitrobenzamide IUPAC Name: N-cyclohexyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-nitrobenzamide Traditional Name: N-cyclohexyl-N-[2-[(4-fluorobenzyl)-(2-thenyl)amino]-2-keto-ethyl]-4-nitro-benzamide Formula: C27H28FN3O4S MolecularWeight: 509.592323

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

InChI

InChI=1S/C27H28FN3O4S/c28-22-12-8-20(9-13-22)17-29(18-25-7-4-16-36-25)26(32)19-30(23-5-2-1-3-6-23)27(33)21-10-14-24(15-11-21)31(34)35/h4,7-16,23H,1-3,5-6,17-19H2