N-(5-nitro-1,3-benzothiazol-2-yl)-2-[4-(phenylmethyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(5-nitro-1,3-benzothiazol-2-yl)-2-[4-(phenylmethyl)piperazin-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: N-(5-nitro-1,3-benzothiazol-2-yl)-2-[4-(phenylmethyl)-1-piperazinyl]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(4-benzylpiperazino)-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CC(=O)NC3=NC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CC(=O)NC3=NC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3S/c26-19(22-20-21-17-12-16(25(27)28)6-7-18(17)29-20)14-24-10-8-23(9-11-24)13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2,(H,21,22,26)