4-(naphthalen-1-ylmethyl)-N-(3-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(naphthalen-1-ylmethyl)-N-(3-nitrophenyl)piperazine-1-carbothioamide Openeye Name: 4-(1-naphthylmethyl)-N-(3-nitrophenyl)piperazine-1-carbothioamide CAS Name: 4-(1-naphthalenylmethyl)-N-(3-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(naphthalen-1-ylmethyl)-N-(3-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-(1-naphthylmethyl)-N-(3-nitrophenyl)piperazine-1-carbothioamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)C(=S)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)C(=S)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O2S/c27-26(28)20-9-4-8-19(15-20)23-22(29)25-13-11-24(12-14-25)16-18-7-3-6-17-5-1-2-10-21(17)18/h1-10,15H,11-14,16H2,(H,23,29)