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

Systemtic Name: N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-3-(4-chlorophenyl)prop-2-enamide Openeye Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-3-(4-chlorophenyl)prop-2-enamide CAS Name: N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-3-(4-chlorophenyl)-2-propenamide IUPAC Name: N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3-(4-chlorophenyl)prop-2-enamide Traditional Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-3-(4-chlorophenyl)acrylamide Formula: C20H18Cl2N4O3S MolecularWeight: 465.35292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18Cl2N4O3S/c21-15-4-1-14(2-5-15)3-8-19(27)23-20(30)25-11-9-24(10-12-25)18-7-6-16(26(28)29)13-17(18)22/h1-8,13H,9-12H2,(H,23,27,30)