2-azanyl-N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-5-nitro-benzamide

Systemtic Name: 2-azanyl-N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-5-nitro-benzamide Openeye Name: 2-amino-N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-5-nitro-benzamide CAS Name: 2-amino-N-[4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]butyl]-5-nitrobenzamide IUPAC Name: 2-amino-N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-5-nitrobenzamide Traditional Name: 2-amino-N-[4-[4-(1,2-benzothiazol-3-yl)piperazino]butyl]-5-nitro-benzamide Formula: C22H26N6O3S MolecularWeight: 454.54524

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N)C3=NSC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1CCCCNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C22H26N6O3S/c23-19-8-7-16(28(30)31)15-18(19)22(29)24-9-3-4-10-26-11-13-27(14-12-26)21-17-5-1-2-6-20(17)32-25-21/h1-2,5-8,15H,3-4,9-14,23H2,(H,24,29)