1-[9,10-bis(oxidanylidene)anthracen-2-yl]-3-(3-chloranyl-4-fluoranyl-phenyl)thiourea

Systemtic Name: 1-[9,10-bis(oxidanylidene)anthracen-2-yl]-3-(3-chloranyl-4-fluoranyl-phenyl)thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-(9,10-dioxo-2-anthryl)thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-(9,10-dioxo-2-anthracenyl)thiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-(9,10-dioxoanthracen-2-yl)thiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-(9,10-diketo-2-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=C(C=C3)NC(=S)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

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

InChI

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