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

Systemtic Name: 1-naphthalen-1-yl-3-[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]thiourea Openeye Name: 1-(1-naphthyl)-3-[2-oxo-4-(trifluoromethyl)chromen-7-yl]thiourea CAS Name: 1-(1-naphthalenyl)-3-[2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl]thiourea IUPAC Name: 1-naphthalen-1-yl-3-[2-oxo-4-(trifluoromethyl)chromen-7-yl]thiourea Traditional Name: 1-[2-keto-4-(trifluoromethyl)chromen-7-yl]-3-(1-naphthyl)thiourea Formula: C21H13F3N2O2S MolecularWeight: 414.40033

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC(=S)NC3=CC4=C(C=C3)C(=CC(=O)O4)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=S)NC3=CC4=C(C=C3)C(=CC(=O)O4)C(F)(F)F

InChI

InChI=1S/C21H13F3N2O2S/c22-21(23,24)16-11-19(27)28-18-10-13(8-9-15(16)18)25-20(29)26-17-7-3-5-12-4-1-2-6-14(12)17/h1-11H,(H2,25,26,29)