1-(4-butylphenyl)-3-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[(E)-3-(3-fluorophenyl)-1-oxoprop-2-enyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[[(E)-3-(3-fluorophenyl)acryloyl]amino]thiourea Formula: C20H22FN3OS MolecularWeight: 371.471583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C=CC2=CC(=CC=C2)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)/C=C/C2=CC(=CC=C2)F

InChI

InChI=1S/C20H22FN3OS/c1-2-3-5-15-8-11-18(12-9-15)22-20(26)24-23-19(25)13-10-16-6-4-7-17(21)14-16/h4,6-14H,2-3,5H2,1H3,(H,23,25)(H2,22,24,26)/b13-10+