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

Systemtic Name: N-cyclohexyl-N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-cyclohexyl-N-[2-[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-cyclohexyl-N-[2-[(4-fluorophenyl)methyl-[(3-methyl-2-thiophenyl)methyl]amino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-cyclohexyl-N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-cyclohexyl-N-[2-[(4-fluorobenzyl)-[(3-methyl-2-thienyl)methyl]amino]-2-keto-ethyl]-3-nitro-benzamide Formula: C28H30FN3O4S MolecularWeight: 523.618903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN(CC2=CC=C(C=C2)F)C(=O)CN(C3CCCCC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC=C1)CN(CC2=CC=C(C=C2)F)C(=O)CN(C3CCCCC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H30FN3O4S/c1-20-14-15-37-26(20)18-30(17-21-10-12-23(29)13-11-21)27(33)19-31(24-7-3-2-4-8-24)28(34)22-6-5-9-25(16-22)32(35)36/h5-6,9-16,24H,2-4,7-8,17-19H2,1H3