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

Systemtic Name: 1,3-benzothiazol-2-yl N-(4-methoxyphenyl)-4-nitro-benzenecarboximidothioate Openeye Name: 1,3-benzothiazol-2-yl N-(4-methoxyphenyl)-4-nitro-benzenecarboximidothioate CAS Name: N-(4-methoxyphenyl)-4-nitrobenzenecarboximidothioic acid 1,3-benzothiazol-2-yl ester IUPAC Name: 1,3-benzothiazol-2-yl N-(4-methoxyphenyl)-4-nitrobenzenecarboximidothioate Traditional Name: N-(4-methoxyphenyl)-4-nitro-benzenecarboximidothioic acid 1,3-benzothiazol-2-yl ester Formula: C21H15N3O3S2 MolecularWeight: 421.4921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15N3O3S2/c1-27-17-12-8-15(9-13-17)22-20(14-6-10-16(11-7-14)24(25)26)29-21-23-18-4-2-3-5-19(18)28-21/h2-13H,1H3