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

Systemtic Name: 1-(3-methoxyphenyl)-3-[2-oxidanylidene-4-(trifluoromethyl)chromen-6-yl]thiourea Openeye Name: 1-(3-methoxyphenyl)-3-[2-oxo-4-(trifluoromethyl)chromen-6-yl]thiourea CAS Name: 1-(3-methoxyphenyl)-3-[2-oxo-4-(trifluoromethyl)-1-benzopyran-6-yl]thiourea IUPAC Name: 1-(3-methoxyphenyl)-3-[2-oxo-4-(trifluoromethyl)chromen-6-yl]thiourea Traditional Name: 1-[2-keto-4-(trifluoromethyl)chromen-6-yl]-3-(3-methoxyphenyl)thiourea Formula: C18H13F3N2O3S MolecularWeight: 394.36763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)NC2=CC3=C(C=C2)OC(=O)C=C3C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)NC2=CC3=C(C=C2)OC(=O)C=C3C(F)(F)F

InChI

InChI=1S/C18H13F3N2O3S/c1-25-12-4-2-3-10(7-12)22-17(27)23-11-5-6-15-13(8-11)14(18(19,20)21)9-16(24)26-15/h2-9H,1H3,(H2,22,23,27)