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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

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