1-(1,3-benzodioxol-5-yl)-3-[9,10-bis(oxidanylidene)anthracen-1-yl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[9,10-bis(oxidanylidene)anthracen-1-yl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(9,10-dioxo-1-anthryl)thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(9,10-dioxo-1-anthracenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(9,10-dioxoanthracen-1-yl)thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(9,10-diketo-1-anthryl)thiourea Formula: C22H14N2O4S MolecularWeight: 402.42256

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=CC=CC4=C3C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=CC=CC4=C3C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C22H14N2O4S/c25-20-13-4-1-2-5-14(13)21(26)19-15(20)6-3-7-16(19)24-22(29)23-12-8-9-17-18(10-12)28-11-27-17/h1-10H,11H2,(H2,23,24,29)