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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[2-oxo-4-(trifluoromethyl)chromen-7-yl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[2-oxo-4-(trifluoromethyl)chromen-7-yl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[2-keto-4-(trifluoromethyl)chromen-7-yl]thiourea Formula: C18H11F3N2O4S MolecularWeight: 408.35115

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=CC4=C(C=C3)C(=CC(=O)O4)C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=CC4=C(C=C3)C(=CC(=O)O4)C(F)(F)F

InChI

InChI=1S/C18H11F3N2O4S/c19-18(20,21)12-7-16(24)27-14-5-9(1-3-11(12)14)22-17(28)23-10-2-4-13-15(6-10)26-8-25-13/h1-7H,8H2,(H2,22,23,28)