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

Systemtic Name: 1-[(6-chloranyl-4-oxidanidyl-quinoxalin-4-ium-2-yl)-methyl-amino]-3-(4-chlorophenyl)thiourea Openeye Name: 1-[(6-chloro-4-oxido-quinoxalin-4-ium-2-yl)-methyl-amino]-3-(4-chlorophenyl)thiourea CAS Name: 1-[(6-chloro-4-oxido-2-quinoxalin-4-iumyl)-methylamino]-3-(4-chlorophenyl)thiourea IUPAC Name: 1-[(6-chloro-4-oxidoquinoxalin-4-ium-2-yl)-methylamino]-3-(4-chlorophenyl)thiourea Traditional Name: 1-[(6-chloro-4-oxido-quinoxalin-4-ium-2-yl)-methyl-amino]-3-(4-chlorophenyl)thiourea Formula: C16H13Cl2N5OS MolecularWeight: 394.27832

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H13Cl2N5OS/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)