N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioylnaphthalene-1-carboxamide

Systemtic Name: N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioylnaphthalene-1-carboxamide Openeye Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]naphthalene-1-carboxamide CAS Name: N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]naphthalene-1-carboxamide Traditional Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-1-naphthamide Formula: C22H19ClN4O3S MolecularWeight: 454.92926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN4O3S/c23-19-14-16(27(29)30)8-9-20(19)25-10-12-26(13-11-25)22(31)24-21(28)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,14H,10-13H2,(H,24,28,31)