naphthalen-1-yl-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

Systemtic Name: naphthalen-1-yl-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: 1-naphthyl-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: 1-naphthalenyl-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: naphthalen-1-yl-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: 1-naphthyl-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C22H18N4O3S/c27-21(18-7-3-5-15-4-1-2-6-17(15)18)24-10-12-25(13-11-24)22-23-19-9-8-16(26(28)29)14-20(19)30-22/h1-9,14H,10-13H2