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

Systemtic Name: naphthalen-2-yl-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: 2-naphthyl-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: 2-naphthalenyl-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: naphthalen-2-yl-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: 2-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=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC5=CC=CC=C5C=C4

InChI

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