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

Systemtic Name: 4-butyl-N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]benzamide Openeye Name: 4-butyl-N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-(2-thienylmethyl)amino]-2-oxo-ethyl]benzamide CAS Name: 4-butyl-N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide IUPAC Name: 4-butyl-N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide Traditional Name: 4-butyl-N-cyclopropyl-N-[2-[(4-fluorobenzyl)-(2-thenyl)amino]-2-keto-ethyl]benzamide Formula: C28H31FN2O2S MolecularWeight: 478.621343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N(CC(=O)N(CC2=CC=C(C=C2)F)CC3=CC=CS3)C4CC4

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N(CC(=O)N(CC2=CC=C(C=C2)F)CC3=CC=CS3)C4CC4

InChI

InChI=1S/C28H31FN2O2S/c1-2-3-5-21-7-11-23(12-8-21)28(33)31(25-15-16-25)20-27(32)30(19-26-6-4-17-34-26)18-22-9-13-24(29)14-10-22/h4,6-14,17,25H,2-3,5,15-16,18-20H2,1H3