N-[3-[1-[(4-butoxyphenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-4-fluoranyl-benzamide

Systemtic Name: N-[3-[1-[(4-butoxyphenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-4-fluoranyl-benzamide Openeye Name: N-[3-[1-[(4-butoxyphenyl)carbamoyl]propylsulfanyl]phenyl]-4-fluoro-benzamide CAS Name: N-[3-[[1-(4-butoxyanilino)-1-oxobutan-2-yl]thio]phenyl]-4-fluorobenzamide IUPAC Name: N-[3-[1-(4-butoxyanilino)-1-oxobutan-2-yl]sulfanylphenyl]-4-fluorobenzamide Traditional Name: N-[3-[1-[(4-butoxyphenyl)carbamoyl]propylthio]phenyl]-4-fluoro-benzamide Formula: C27H29FN2O3S MolecularWeight: 480.594163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)C(CC)SC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)C(CC)SC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C27H29FN2O3S/c1-3-5-17-33-23-15-13-21(14-16-23)29-27(32)25(4-2)34-24-8-6-7-22(18-24)30-26(31)19-9-11-20(28)12-10-19/h6-16,18,25H,3-5,17H2,1-2H3,(H,29,32)(H,30,31)