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

Systemtic Name: 1-[9,10-bis(oxidanylidene)anthracen-1-yl]-3-(4-chlorophenyl)thiourea Openeye Name: 1-(4-chlorophenyl)-3-(9,10-dioxo-1-anthryl)thiourea CAS Name: 1-(4-chlorophenyl)-3-(9,10-dioxo-1-anthracenyl)thiourea IUPAC Name: 1-(4-chlorophenyl)-3-(9,10-dioxoanthracen-1-yl)thiourea Traditional Name: 1-(4-chlorophenyl)-3-(9,10-diketo-1-anthryl)thiourea Formula: C21H13ClN2O2S MolecularWeight: 392.85812

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H13ClN2O2S/c22-12-8-10-13(11-9-12)23-21(27)24-17-7-3-6-16-18(17)20(26)15-5-2-1-4-14(15)19(16)25/h1-11H,(H2,23,24,27)