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

Systemtic Name: 1-[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]-3-phenethyl-thiourea Openeye Name: 1-[2-oxo-4-(trifluoromethyl)chromen-7-yl]-3-phenethyl-thiourea CAS Name: 1-[2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl]-3-phenethylthiourea IUPAC Name: 1-[2-oxo-4-(trifluoromethyl)chromen-7-yl]-3-phenethylthiourea Traditional Name: 1-[2-keto-4-(trifluoromethyl)chromen-7-yl]-3-phenethyl-thiourea Formula: C19H15F3N2O2S MolecularWeight: 392.39481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15F3N2O2S/c20-19(21,22)15-11-17(25)26-16-10-13(6-7-14(15)16)24-18(27)23-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H2,23,24,27)