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

Systemtic Name: 1-[9,10-bis(oxidanylidene)anthracen-1-yl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(9,10-dioxo-1-anthryl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-(9,10-dioxo-1-anthracenyl)-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(9,10-dioxoanthracen-1-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(9,10-diketo-1-anthryl)-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C25H17N5O4S2 MolecularWeight: 515.56358

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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)S(=O)(=O)NC5=NC=CC=N5

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC(=S)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5

InChI

InChI=1S/C25H17N5O4S2/c31-22-17-5-1-2-6-18(17)23(32)21-19(22)7-3-8-20(21)29-25(35)28-15-9-11-16(12-10-15)36(33,34)30-24-26-13-4-14-27-24/h1-14H,(H,26,27,30)(H2,28,29,35)