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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S/c1-4-5-6-16-7-11-18(12-8-16)23-22(29)25-24-21(26)14-10-17-9-13-19(27-2)20(15-17)28-3/h7-15H,4-6H2,1-3H3,(H,24,26)(H2,23,25,29)/b14-10+