N-(1,3-benzothiazol-2-yl)-2-chloranyl-N-(3,4-dimethoxyphenyl)-4-nitro-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-chloranyl-N-(3,4-dimethoxyphenyl)-4-nitro-benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-chloro-N-(3,4-dimethoxyphenyl)-4-nitro-benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-chloro-N-(3,4-dimethoxyphenyl)-4-nitrobenzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-chloro-N-(3,4-dimethoxyphenyl)-4-nitrobenzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-chloro-N-(3,4-dimethoxyphenyl)-4-nitro-benzamide Formula: C22H16ClN3O5S MolecularWeight: 469.89754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(C2=NC3=CC=CC=C3S2)C(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N(C2=NC3=CC=CC=C3S2)C(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C22H16ClN3O5S/c1-30-18-10-8-13(12-19(18)31-2)25(22-24-17-5-3-4-6-20(17)32-22)21(27)15-9-7-14(26(28)29)11-16(15)23/h3-12H,1-2H3