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

Systemtic Name: 1-[9,10-bis(oxidanylidene)anthracen-1-yl]-3-(4-butylphenyl)thiourea Openeye Name: 1-(4-butylphenyl)-3-(9,10-dioxo-1-anthryl)thiourea CAS Name: 1-(4-butylphenyl)-3-(9,10-dioxo-1-anthracenyl)thiourea IUPAC Name: 1-(4-butylphenyl)-3-(9,10-dioxoanthracen-1-yl)thiourea Traditional Name: 1-(4-butylphenyl)-3-(9,10-diketo-1-anthryl)thiourea Formula: C25H22N2O2S MolecularWeight: 414.51938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H22N2O2S/c1-2-3-7-16-12-14-17(15-13-16)26-25(30)27-21-11-6-10-20-22(21)24(29)19-9-5-4-8-18(19)23(20)28/h4-6,8-15H,2-3,7H2,1H3,(H2,26,27,30)