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

Systemtic Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[4-(2,3-dimethylphenyl)piperazino]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)CC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)CC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C21H23N5O3S/c1-14-4-3-5-18(15(14)2)25-10-8-24(9-11-25)13-20(27)23-21-22-17-7-6-16(26(28)29)12-19(17)30-21/h3-7,12H,8-11,13H2,1-2H3,(H,22,23,27)