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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=S)NC(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=S)NC(=O)C3=CC4=CC=CC=C4C=C3

InChI

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