1-(4-bromophenyl)-3-[(6-chloranyl-4-oxidanidyl-quinoxalin-4-ium-2-yl)-methyl-amino]thiourea

Systemtic Name: 1-(4-bromophenyl)-3-[(6-chloranyl-4-oxidanidyl-quinoxalin-4-ium-2-yl)-methyl-amino]thiourea Openeye Name: 1-(4-bromophenyl)-3-[(6-chloro-4-oxido-quinoxalin-4-ium-2-yl)-methyl-amino]thiourea CAS Name: 1-(4-bromophenyl)-3-[(6-chloro-4-oxido-2-quinoxalin-4-iumyl)-methylamino]thiourea IUPAC Name: 1-(4-bromophenyl)-3-[(6-chloro-4-oxidoquinoxalin-4-ium-2-yl)-methylamino]thiourea Traditional Name: 1-(4-bromophenyl)-3-[(6-chloro-4-oxido-quinoxalin-4-ium-2-yl)-methyl-amino]thiourea Formula: C16H13BrClN5OS MolecularWeight: 438.72932

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C[N+](=C2C=C(C=CC2=N1)Cl)[O-])NC(=S)NC3=CC=C(C=C3)Br

Isomeric SMILES

CN(C1=C[N+](=C2C=C(C=CC2=N1)Cl)[O-])NC(=S)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C16H13BrClN5OS/c1-22(21-16(25)19-12-5-2-10(17)3-6-12)15-9-23(24)14-8-11(18)4-7-13(14)20-15/h2-9H,1H3,(H2,19,21,25)