S-[[4-(1H-benzimidazol-2-yl)phenyl]carbamoylamino] 4-methoxy-3-nitro-benzenecarbothioate

Systemtic Name: S-[[4-(1H-benzimidazol-2-yl)phenyl]carbamoylamino] 4-methoxy-3-nitro-benzenecarbothioate Openeye Name: S-[[4-(1H-benzimidazol-2-yl)phenyl]carbamoylamino] 4-methoxy-3-nitro-benzenecarbothioate CAS Name: 4-methoxy-3-nitrobenzenecarbothioic acid S-[[[4-(1H-benzimidazol-2-yl)anilino]-oxomethyl]amino] ester IUPAC Name: S-[[4-(1H-benzimidazol-2-yl)phenyl]carbamoylamino] 4-methoxy-3-nitrobenzenecarbothioate Traditional Name: 4-methoxy-3-nitro-thiobenzoic acid S-[[4-(1H-benzimidazol-2-yl)phenyl]carbamoylamino] ester Formula: C22H17N5O5S MolecularWeight: 463.46588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)SNC(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)SNC(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C22H17N5O5S/c1-32-19-11-8-14(12-18(19)27(30)31)21(28)33-26-22(29)23-15-9-6-13(7-10-15)20-24-16-4-2-3-5-17(16)25-20/h2-12H,1H3,(H,24,25)(H2,23,26,29)