N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-3-methoxy-naphthalene-2-carboxamide

Systemtic Name: N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-3-methoxy-naphthalene-2-carboxamide Openeye Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-3-methoxy-2-naphthalenecarboxamide IUPAC Name: N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-3-methoxy-2-naphthamide Formula: C23H21ClN4O4S MolecularWeight: 484.95524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)N3CCN(CC3)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)N3CCN(CC3)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C23H21ClN4O4S/c1-32-21-13-16-5-3-2-4-15(16)12-18(21)22(29)25-23(33)27-10-8-26(9-11-27)20-7-6-17(28(30)31)14-19(20)24/h2-7,12-14H,8-11H2,1H3,(H,25,29,33)