1,3-benzothiazol-2-yl N-(4-methoxyphenyl)-3,5-dinitro-benzenecarboximidothioate

Systemtic Name: 1,3-benzothiazol-2-yl N-(4-methoxyphenyl)-3,5-dinitro-benzenecarboximidothioate Openeye Name: 1,3-benzothiazol-2-yl N-(4-methoxyphenyl)-3,5-dinitro-benzenecarboximidothioate CAS Name: N-(4-methoxyphenyl)-3,5-dinitrobenzenecarboximidothioic acid 1,3-benzothiazol-2-yl ester IUPAC Name: 1,3-benzothiazol-2-yl N-(4-methoxyphenyl)-3,5-dinitrobenzenecarboximidothioate Traditional Name: N-(4-methoxyphenyl)-3,5-dinitro-benzenecarboximidothioic acid 1,3-benzothiazol-2-yl ester Formula: C21H14N4O5S2 MolecularWeight: 466.48966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N=C(C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])SC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)N=C(C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H14N4O5S2/c1-30-17-8-6-14(7-9-17)22-20(32-21-23-18-4-2-3-5-19(18)31-21)13-10-15(24(26)27)12-16(11-13)25(28)29/h2-12H,1H3