N-(1,3-benzothiazol-2-ylmethyl)-4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-benzamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(4-chloro-2-nitrophenoxy)-3-methoxybenzamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(4-chloro-2-nitrophenoxy)-3-methoxybenzamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzamide Formula: C22H16ClN3O5S MolecularWeight: 469.89754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)NCC2=NC3=CC=CC=C3S2)OC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)NCC2=NC3=CC=CC=C3S2)OC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H16ClN3O5S/c1-30-19-10-13(22(27)24-12-21-25-15-4-2-3-5-20(15)32-21)6-8-18(19)31-17-9-7-14(23)11-16(17)26(28)29/h2-11H,12H2,1H3,(H,24,27)