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

Systemtic Name: 1-[(6-chloranyl-4-oxidanidyl-quinoxalin-4-ium-2-yl)-methyl-amino]-3-phenyl-thiourea Openeye Name: 1-[(6-chloro-4-oxido-quinoxalin-4-ium-2-yl)-methyl-amino]-3-phenyl-thiourea CAS Name: 1-[(6-chloro-4-oxido-2-quinoxalin-4-iumyl)-methylamino]-3-phenylthiourea IUPAC Name: 1-[(6-chloro-4-oxidoquinoxalin-4-ium-2-yl)-methylamino]-3-phenylthiourea Traditional Name: 1-[(6-chloro-4-oxido-quinoxalin-4-ium-2-yl)-methyl-amino]-3-phenyl-thiourea Formula: C16H14ClN5OS MolecularWeight: 359.83326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN5OS/c1-21(20-16(24)18-12-5-3-2-4-6-12)15-10-22(23)14-9-11(17)7-8-13(14)19-15/h2-10H,1H3,(H2,18,20,24)