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

Systemtic Name: 1-(4-butylphenyl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[[(E)-3-(2-furyl)prop-2-enoyl]amino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[[(E)-3-(2-furyl)acryloyl]amino]thiourea Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C=CC2=CC=CO2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)/C=C/C2=CC=CO2

InChI

InChI=1S/C18H21N3O2S/c1-2-3-5-14-7-9-15(10-8-14)19-18(24)21-20-17(22)12-11-16-6-4-13-23-16/h4,6-13H,2-3,5H2,1H3,(H,20,22)(H2,19,21,24)/b12-11+