1-[9,10-bis(oxidanylidene)anthracen-1-yl]-3-(3-chloranyl-4-fluoranyl-phenyl)thiourea

Systemtic Name: 1-[9,10-bis(oxidanylidene)anthracen-1-yl]-3-(3-chloranyl-4-fluoranyl-phenyl)thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-(9,10-dioxo-1-anthryl)thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-(9,10-dioxo-1-anthracenyl)thiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-(9,10-dioxoanthracen-1-yl)thiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-(9,10-diketo-1-anthryl)thiourea Formula: C21H12ClFN2O2S MolecularWeight: 410.848583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC(=S)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC(=S)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C21H12ClFN2O2S/c22-15-10-11(8-9-16(15)23)24-21(28)25-17-7-3-6-14-18(17)20(27)13-5-2-1-4-12(13)19(14)26/h1-10H,(H2,24,25,28)