1-[(3-methyl-1-benzofuran-2-yl)carbonylamino]-3-[2-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-[(3-methyl-1-benzofuran-2-yl)carbonylamino]-3-[2-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-[(3-methylbenzofuran-2-carbonyl)amino]-3-[2-(trifluoromethyl)phenyl]thiourea CAS Name: 1-[[(3-methyl-2-benzofuranyl)-oxomethyl]amino]-3-[2-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-[(3-methyl-1-benzofuran-2-carbonyl)amino]-3-[2-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-[(3-methylbenzofuran-2-carbonyl)amino]-3-[2-(trifluoromethyl)phenyl]thiourea Formula: C18H14F3N3O2S MolecularWeight: 393.38287

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NNC(=S)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NNC(=S)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C18H14F3N3O2S/c1-10-11-6-2-5-9-14(11)26-15(10)16(25)23-24-17(27)22-13-8-4-3-7-12(13)18(19,20)21/h2-9H,1H3,(H,23,25)(H2,22,24,27)