5-(2-ethylsulfanylpropyl)-2-[1-[(phenylmethyl)amino]butylidene]cyclohexane-1,3-dione

Systemtic Name: 5-(2-ethylsulfanylpropyl)-2-[1-[(phenylmethyl)amino]butylidene]cyclohexane-1,3-dione Openeye Name: 2-[1-(benzylamino)butylidene]-5-(2-ethylsulfanylpropyl)cyclohexane-1,3-dione CAS Name: 5-[2-(ethylthio)propyl]-2-[1-[(phenylmethyl)amino]butylidene]cyclohexane-1,3-dione IUPAC Name: 2-[1-(benzylamino)butylidene]-5-(2-ethylsulfanylpropyl)cyclohexane-1,3-dione Traditional Name: 2-[1-(benzylamino)butylidene]-5-[2-(ethylthio)propyl]cyclohexane-1,3-quinone Formula: C22H31NO2S MolecularWeight: 373.55204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C1C(=O)CC(CC1=O)CC(C)SCC)NCC2=CC=CC=C2

Isomeric SMILES

CCCC(=C1C(=O)CC(CC1=O)CC(C)SCC)NCC2=CC=CC=C2

InChI

InChI=1S/C22H31NO2S/c1-4-9-19(23-15-17-10-7-6-8-11-17)22-20(24)13-18(14-21(22)25)12-16(3)26-5-2/h6-8,10-11,16,18,23H,4-5,9,12-15H2,1-3H3