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

Systemtic Name: 1-(4-butylphenyl)-3-[[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]amino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]amino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[(E)-3-(2,3-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]amino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[[(E)-3-(2,3-dimethoxyphenyl)acryloyl]amino]thiourea Formula: C22H27N3O3S MolecularWeight: 413.53308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S/c1-4-5-7-16-10-13-18(14-11-16)23-22(29)25-24-20(26)15-12-17-8-6-9-19(27-2)21(17)28-3/h6,8-15H,4-5,7H2,1-3H3,(H,24,26)(H2,23,25,29)/b15-12+