(E)-N-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbothioyl-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbothioyl-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[4-(2-chloro-6-nitro-phenyl)piperazine-1-carbothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[4-(2-chloro-6-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[4-(2-chloro-6-nitrophenyl)piperazine-1-carbothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[4-(2-chloro-6-nitro-phenyl)piperazine-1-carbothioyl]-3-phenyl-acrylamide Formula: C20H19ClN4O3S MolecularWeight: 430.90786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=C2Cl)[N+](=O)[O-])C(=S)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=C2Cl)[N+](=O)[O-])C(=S)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C20H19ClN4O3S/c21-16-7-4-8-17(25(27)28)19(16)23-11-13-24(14-12-23)20(29)22-18(26)10-9-15-5-2-1-3-6-15/h1-10H,11-14H2,(H,22,26,29)/b10-9+