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

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(4-ethanoylpiperazin-1-yl)-N-methyl-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-nitro-benzamide Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N(C)CC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N(C)CC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O4S/c1-15(28)25-9-11-26(12-10-25)18-8-7-16(13-19(18)27(30)31)22(29)24(2)14-21-23-17-5-3-4-6-20(17)32-21/h3-8,13H,9-12,14H2,1-2H3