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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN4O3S/c23-19-14-18(27(29)30)7-8-20(19)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)