N-(1,3-benzothiazol-2-yl)-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-(1,3-benzothiazol-2-yl)-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-(1,3-benzothiazol-2-yl)-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-(1,3-benzothiazol-2-yl)-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-(1,3-benzothiazol-2-yl)-3-nitro-benzamide Formula: C20H19N5O4S MolecularWeight: 425.46096

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O4S/c1-13(26)23-8-10-24(11-9-23)16-7-6-14(12-17(16)25(28)29)19(27)22-20-21-15-4-2-3-5-18(15)30-20/h2-7,12H,8-11H2,1H3,(H,21,22,27)