1-[[(E)-[5-butyl-2-[4-(trifluoromethyl)phenyl]indol-3-ylidene]methyl]amino]urea

Systemtic Name: 1-[[(E)-[5-butyl-2-[4-(trifluoromethyl)phenyl]indol-3-ylidene]methyl]amino]urea Openeye Name: [[(E)-[5-butyl-2-[4-(trifluoromethyl)phenyl]indol-3-ylidene]methyl]amino]urea CAS Name: [[(E)-[5-butyl-2-[4-(trifluoromethyl)phenyl]-3-indolylidene]methyl]amino]urea IUPAC Name: [[(E)-[5-butyl-2-[4-(trifluoromethyl)phenyl]indol-3-ylidene]methyl]amino]urea Traditional Name: [[(E)-[5-butyl-2-[4-(trifluoromethyl)phenyl]indol-3-ylidene]methyl]amino]urea Formula: C21H21F3N4O MolecularWeight: 402.41285

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(C2=CNNC(=O)N)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CCCCC1=CC\2=C(C=C1)N=C(/C2=C/NNC(=O)N)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H21F3N4O/c1-2-3-4-13-5-10-18-16(11-13)17(12-26-28-20(25)29)19(27-18)14-6-8-15(9-7-14)21(22,23)24/h5-12,26H,2-4H2,1H3,(H3,25,28,29)/b17-12+