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

Systemtic Name: 1-[(6-chloranyl-4-oxidanidyl-quinoxalin-4-ium-2-yl)-methyl-amino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(6-chloro-4-oxido-quinoxalin-4-ium-2-yl)-methyl-amino]thiourea CAS Name: 1-[(6-chloro-4-oxido-2-quinoxalin-4-iumyl)-methylamino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(6-chloro-4-oxidoquinoxalin-4-ium-2-yl)-methylamino]thiourea Traditional Name: 1-benzyl-3-[(6-chloro-4-oxido-quinoxalin-4-ium-2-yl)-methyl-amino]thiourea Formula: C17H16ClN5OS MolecularWeight: 373.85984

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C[N+](=C2C=C(C=CC2=N1)Cl)[O-])NC(=S)NCC3=CC=CC=C3

Isomeric SMILES

CN(C1=C[N+](=C2C=C(C=CC2=N1)Cl)[O-])NC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C17H16ClN5OS/c1-22(21-17(25)19-10-12-5-3-2-4-6-12)16-11-23(24)15-9-13(18)7-8-14(15)20-16/h2-9,11H,10H2,1H3,(H2,19,21,25)