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

Systemtic Name: N-cyclohexyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-cyclohexyl-N-[2-[(4-fluorophenyl)methyl-(2-thienylmethyl)amino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-cyclohexyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-cyclohexyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-cyclohexyl-N-[2-[(4-fluorobenzyl)-(2-thenyl)amino]-2-keto-ethyl]-3-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(=CC=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(=CC=C4)[N+](=O)[O-]

InChI

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