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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)N=C(N)NC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)/N=C(\N)/NC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N7O2S/c17-14(22-16(26)18-9-10-4-2-1-3-5-10)21-15-19-12-7-6-11(23(24)25)8-13(12)20-15/h1-8H,9H2,(H5,17,18,19,20,21,22,26)