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

Systemtic Name: N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-3-(2,4-dichlorophenyl)prop-2-enamide Openeye Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-3-(2,4-dichlorophenyl)prop-2-enamide CAS Name: N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-3-(2,4-dichlorophenyl)-2-propenamide IUPAC Name: N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3-(2,4-dichlorophenyl)prop-2-enamide Traditional Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-3-(2,4-dichlorophenyl)acrylamide Formula: C20H17Cl3N4O3S MolecularWeight: 499.79798

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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=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H17Cl3N4O3S/c21-14-3-1-13(16(22)11-14)2-6-19(28)24-20(31)26-9-7-25(8-10-26)18-5-4-15(27(29)30)12-17(18)23/h1-6,11-12H,7-10H2,(H,24,28,31)