N-[5-(azepan-2-yl)-4-methoxy-1,3-benzothiazol-2-yl]-4-nitro-benzamide

Systemtic Name: N-[5-(azepan-2-yl)-4-methoxy-1,3-benzothiazol-2-yl]-4-nitro-benzamide Openeye Name: N-[5-(azepan-2-yl)-4-methoxy-1,3-benzothiazol-2-yl]-4-nitro-benzamide CAS Name: N-[5-(2-azepanyl)-4-methoxy-1,3-benzothiazol-2-yl]-4-nitrobenzamide IUPAC Name: N-[5-(azepan-2-yl)-4-methoxy-1,3-benzothiazol-2-yl]-4-nitrobenzamide Traditional Name: N-[5-(azepan-2-yl)-4-methoxy-1,3-benzothiazol-2-yl]-4-nitro-benzamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC2=C1N=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4CCCCCN4

Isomeric SMILES

COC1=C(C=CC2=C1N=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4CCCCCN4

InChI

InChI=1S/C21H22N4O4S/c1-29-19-15(16-5-3-2-4-12-22-16)10-11-17-18(19)23-21(30-17)24-20(26)13-6-8-14(9-7-13)25(27)28/h6-11,16,22H,2-5,12H2,1H3,(H,23,24,26)