(1E)-1-[azanyl-[(6-nitro-1H-benzimidazol-2-yl)amino]methylidene]-3-(2-methylphenyl)thiourea

Systemtic Name: (1E)-1-[azanyl-[(6-nitro-1H-benzimidazol-2-yl)amino]methylidene]-3-(2-methylphenyl)thiourea Openeye Name: (1E)-1-[amino-[(6-nitro-1H-benzimidazol-2-yl)amino]methylene]-3-(o-tolyl)thiourea CAS Name: (1E)-1-[amino-[(6-nitro-1H-benzimidazol-2-yl)amino]methylidene]-3-(2-methylphenyl)thiourea IUPAC Name: (1E)-1-[amino-[(6-nitro-1H-benzimidazol-2-yl)amino]methylidene]-3-(2-methylphenyl)thiourea Traditional Name: (1E)-1-[amino-[(6-nitro-1H-benzimidazol-2-yl)amino]methylene]-3-(o-tolyl)thiourea Formula: C16H15N7O2S MolecularWeight: 369.401

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N=C(N)NC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC(=S)/N=C(\N)/NC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N7O2S/c1-9-4-2-3-5-11(9)20-16(26)22-14(17)21-15-18-12-7-6-10(23(24)25)8-13(12)19-15/h2-8H,1H3,(H5,17,18,19,20,21,22,26)