1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-methyl-2-oxidanylidene-chromen-7-yl)thiourea

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-methyl-2-oxidanylidene-chromen-7-yl)thiourea Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-methyl-2-oxo-chromen-7-yl)thiourea CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-methyl-2-oxo-1-benzopyran-7-yl)thiourea IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-methyl-2-oxochromen-7-yl)thiourea Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(2-keto-4-methyl-chromen-7-yl)thiourea Formula: C19H12F6N2O2S MolecularWeight: 446.366199

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C19H12F6N2O2S/c1-9-4-16(28)29-15-8-12(2-3-14(9)15)26-17(30)27-13-6-10(18(20,21)22)5-11(7-13)19(23,24)25/h2-8H,1H3,(H2,26,27,30)