1-hexyl-3-[2-oxidanylidene-4-(trifluoromethyl)chromen-6-yl]thiourea

Systemtic Name: 1-hexyl-3-[2-oxidanylidene-4-(trifluoromethyl)chromen-6-yl]thiourea Openeye Name: 1-hexyl-3-[2-oxo-4-(trifluoromethyl)chromen-6-yl]thiourea CAS Name: 1-hexyl-3-[2-oxo-4-(trifluoromethyl)-1-benzopyran-6-yl]thiourea IUPAC Name: 1-hexyl-3-[2-oxo-4-(trifluoromethyl)chromen-6-yl]thiourea Traditional Name: 1-hexyl-3-[2-keto-4-(trifluoromethyl)chromen-6-yl]thiourea Formula: C17H19F3N2O2S MolecularWeight: 372.40517

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=S)NC1=CC2=C(C=C1)OC(=O)C=C2C(F)(F)F

Isomeric SMILES

CCCCCCNC(=S)NC1=CC2=C(C=C1)OC(=O)C=C2C(F)(F)F

InChI

InChI=1S/C17H19F3N2O2S/c1-2-3-4-5-8-21-16(25)22-11-6-7-14-12(9-11)13(17(18,19)20)10-15(23)24-14/h6-7,9-10H,2-5,8H2,1H3,(H2,21,22,25)