N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioylnaphthalene-1-carboxamide

Systemtic Name: N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioylnaphthalene-1-carboxamide Openeye Name: N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]naphthalene-1-carboxamide CAS Name: N-[[4-(4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]naphthalene-1-carboxamide Traditional Name: N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]-1-naphthamide Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H20N4O3S/c27-21(20-7-3-5-16-4-1-2-6-19(16)20)23-22(30)25-14-12-24(13-15-25)17-8-10-18(11-9-17)26(28)29/h1-11H,12-15H2,(H,23,27,30)