N-naphthalen-1-yl-4-(4-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: N-naphthalen-1-yl-4-(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: N-(1-naphthyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: N-(1-naphthalenyl)-4-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: N-naphthalen-1-yl-4-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: N-(1-naphthyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H20N4O2S/c26-25(27)18-10-8-17(9-11-18)23-12-14-24(15-13-23)21(28)22-20-7-3-5-16-4-1-2-6-19(16)20/h1-11H,12-15H2,(H,22,28)