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

Systemtic Name: (E)-N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-3-(4-methoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-3-(4-methoxyphenyl)prop-2-enamide CAS Name: (E)-N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-3-(4-methoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3-(4-methoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-3-(4-methoxyphenyl)acrylamide Formula: C21H21ClN4O4S MolecularWeight: 460.93384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H21ClN4O4S/c1-30-17-6-2-15(3-7-17)4-9-20(27)23-21(31)25-12-10-24(11-13-25)19-8-5-16(26(28)29)14-18(19)22/h2-9,14H,10-13H2,1H3,(H,23,27,31)/b9-4+