3-ethylsulfanyl-N-[2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide

Systemtic Name: 3-ethylsulfanyl-N-[2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide Openeye Name: 3-ethylsulfanyl-N-[2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide CAS Name: 3-(ethylthio)-N-[2-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]ethyl]benzamide IUPAC Name: 3-ethylsulfanyl-N-[2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide Traditional Name: 3-(ethylthio)-N-[2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]ethyl]benzamide Formula: C22H25N5O3S2 MolecularWeight: 471.5956

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC(=C1)C(=O)NCCN2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCSC1=CC=CC(=C1)C(=O)NCCN2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O3S2/c1-2-31-18-5-3-4-16(14-18)21(28)23-8-9-25-10-12-26(13-11-25)22-24-19-7-6-17(27(29)30)15-20(19)32-22/h3-7,14-15H,2,8-13H2,1H3,(H,23,28)