N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(3-nitrophenyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(3-nitrophenyl)piperazin-1-yl]ethanamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(3-nitrophenyl)piperazin-1-yl]acetamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(3-nitrophenyl)-1-piperazinyl]acetamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(3-nitrophenyl)piperazin-1-yl]acetamide Traditional Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(3-nitrophenyl)piperazino]acetamide Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3CCN(CC3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3CCN(CC3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O4S/c1-29-16-5-6-17-18(12-16)30-20(21-17)22-19(26)13-23-7-9-24(10-8-23)14-3-2-4-15(11-14)25(27)28/h2-6,11-12H,7-10,13H2,1H3,(H,21,22,26)