5-chloranyl-N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-naphthalene-1-carboxamide

Systemtic Name: 5-chloranyl-N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-naphthalene-1-carboxamide Openeye Name: 5-chloro-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]naphthalene-1-carboxamide CAS Name: 5-chloro-N-[[4-(4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-chloro-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]naphthalene-1-carboxamide Traditional Name: 5-chloro-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]-1-naphthamide Formula: C22H19ClN4O3S MolecularWeight: 454.92926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Cl

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Cl

InChI

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