N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-3-phenyl-prop-2-enamide

Systemtic Name: N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-3-phenyl-prop-2-enamide Openeye Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-3-phenyl-prop-2-enamide CAS Name: N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3-phenylprop-2-enamide Traditional Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-3-phenyl-acrylamide Formula: C20H19ClN4O3S MolecularWeight: 430.90786

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)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=S)NC(=O)C=CC3=CC=CC=C3

InChI

InChI=1S/C20H19ClN4O3S/c21-17-14-16(25(27)28)7-8-18(17)23-10-12-24(13-11-23)20(29)22-19(26)9-6-15-4-2-1-3-5-15/h1-9,14H,10-13H2,(H,22,26,29)