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

Systemtic Name: 1-(4-butylphenyl)-3-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[(E)-3-(2-methoxyphenyl)-1-oxoprop-2-enyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[[(E)-3-(2-methoxyphenyl)acryloyl]amino]thiourea Formula: C21H25N3O2S MolecularWeight: 383.5071

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=C2OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)/C=C/C2=CC=CC=C2OC

InChI

InChI=1S/C21H25N3O2S/c1-3-4-7-16-10-13-18(14-11-16)22-21(27)24-23-20(25)15-12-17-8-5-6-9-19(17)26-2/h5-6,8-15H,3-4,7H2,1-2H3,(H,23,25)(H2,22,24,27)/b15-12+