1-(4-chloranyl-1-oxidanylidene-3-phenethyloxy-isochromen-7-yl)-3-[(4-fluorophenyl)methyl]thiourea

Systemtic Name: 1-(4-chloranyl-1-oxidanylidene-3-phenethyloxy-isochromen-7-yl)-3-[(4-fluorophenyl)methyl]thiourea Openeye Name: 1-(4-chloro-1-oxo-3-phenethyloxy-isochromen-7-yl)-3-[(4-fluorophenyl)methyl]thiourea CAS Name: 1-(4-chloro-1-oxo-3-phenethyloxy-2-benzopyran-7-yl)-3-[(4-fluorophenyl)methyl]thiourea IUPAC Name: 1-(4-chloro-1-oxo-3-phenethyloxyisochromen-7-yl)-3-[(4-fluorophenyl)methyl]thiourea Traditional Name: 1-(4-chloro-1-keto-3-phenethyloxy-isochromen-7-yl)-3-(4-fluorobenzyl)thiourea Formula: C25H20ClFN2O3S MolecularWeight: 482.954303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=C(C3=C(C=C(C=C3)NC(=S)NCC4=CC=C(C=C4)F)C(=O)O2)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=C(C3=C(C=C(C=C3)NC(=S)NCC4=CC=C(C=C4)F)C(=O)O2)Cl

InChI

InChI=1S/C25H20ClFN2O3S/c26-22-20-11-10-19(29-25(33)28-15-17-6-8-18(27)9-7-17)14-21(20)23(30)32-24(22)31-13-12-16-4-2-1-3-5-16/h1-11,14H,12-13,15H2,(H2,28,29,33)