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

Systemtic Name: (1E)-1-[azanyl-[(6-nitro-1H-benzimidazol-2-yl)amino]methylidene]-3-(2-methoxyphenyl)thiourea Openeye Name: (1E)-1-[amino-[(6-nitro-1H-benzimidazol-2-yl)amino]methylene]-3-(2-methoxyphenyl)thiourea CAS Name: (1E)-1-[amino-[(6-nitro-1H-benzimidazol-2-yl)amino]methylidene]-3-(2-methoxyphenyl)thiourea IUPAC Name: (1E)-1-[amino-[(6-nitro-1H-benzimidazol-2-yl)amino]methylidene]-3-(2-methoxyphenyl)thiourea Traditional Name: (1E)-1-[amino-[(6-nitro-1H-benzimidazol-2-yl)amino]methylene]-3-(2-methoxyphenyl)thiourea Formula: C16H15N7O3S MolecularWeight: 385.4004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)N=C(N)NC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1NC(=S)/N=C(\N)/NC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N7O3S/c1-26-13-5-3-2-4-11(13)20-16(27)22-14(17)21-15-18-10-7-6-9(23(24)25)8-12(10)19-15/h2-8H,1H3,(H5,17,18,19,20,21,22,27)