N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-phenoxy-benzamide

Systemtic Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-phenoxy-benzamide Openeye Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-phenoxy-benzamide CAS Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-phenoxybenzamide IUPAC Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-phenoxybenzamide Traditional Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-phenoxy-benzamide Formula: C21H15N3O5S MolecularWeight: 421.4259

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C21H15N3O5S/c1-28-17-11-14(24(26)27)12-18-19(17)22-21(30-18)23-20(25)13-7-9-16(10-8-13)29-15-5-3-2-4-6-15/h2-12H,1H3,(H,22,23,25)