1-propan-2-yl-3-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]thiourea

Systemtic Name: 1-propan-2-yl-3-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]thiourea Openeye Name: 1-isopropyl-3-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]thiourea CAS Name: 1-[[(E)-1-oxo-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]amino]-3-propan-2-ylthiourea IUPAC Name: 1-propan-2-yl-3-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]thiourea Traditional Name: 1-isopropyl-3-[[(E)-3-[3-(trifluoromethyl)phenyl]acryloyl]amino]thiourea Formula: C14H16F3N3OS MolecularWeight: 331.35655

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NNC(=O)C=CC1=CC(=CC=C1)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C14H16F3N3OS/c1-9(2)18-13(22)20-19-12(21)7-6-10-4-3-5-11(8-10)14(15,16)17/h3-9H,1-2H3,(H,19,21)(H2,18,20,22)/b7-6+