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

Systemtic Name: 1-[9,10-bis(oxidanylidene)anthracen-1-yl]-3-(3-nitrophenyl)thiourea Openeye Name: 1-(9,10-dioxo-1-anthryl)-3-(3-nitrophenyl)thiourea CAS Name: 1-(9,10-dioxo-1-anthracenyl)-3-(3-nitrophenyl)thiourea IUPAC Name: 1-(9,10-dioxoanthracen-1-yl)-3-(3-nitrophenyl)thiourea Traditional Name: 1-(9,10-diketo-1-anthryl)-3-(3-nitrophenyl)thiourea Formula: C21H13N3O4S MolecularWeight: 403.41062

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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(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC(=S)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H13N3O4S/c25-19-14-7-1-2-8-15(14)20(26)18-16(19)9-4-10-17(18)23-21(29)22-12-5-3-6-13(11-12)24(27)28/h1-11H,(H2,22,23,29)