1-[(4-chlorophenyl)methyl]-3-[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]thiourea

Systemtic Name: 1-[(4-chlorophenyl)methyl]-3-[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]thiourea Openeye Name: 1-[(4-chlorophenyl)methyl]-3-[2-oxo-4-(trifluoromethyl)chromen-7-yl]thiourea CAS Name: 1-[(4-chlorophenyl)methyl]-3-[2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl]thiourea IUPAC Name: 1-[(4-chlorophenyl)methyl]-3-[2-oxo-4-(trifluoromethyl)chromen-7-yl]thiourea Traditional Name: 1-(4-chlorobenzyl)-3-[2-keto-4-(trifluoromethyl)chromen-7-yl]thiourea Formula: C18H12ClF3N2O2S MolecularWeight: 412.81329

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=S)NC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=CC=C1CNC(=S)NC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F)Cl

InChI

InChI=1S/C18H12ClF3N2O2S/c19-11-3-1-10(2-4-11)9-23-17(27)24-12-5-6-13-14(18(20,21)22)8-16(25)26-15(13)7-12/h1-8H,9H2,(H2,23,24,27)