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

Systemtic Name: (E)-N-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbothioyl-3-(4-propan-2-ylphenyl)prop-2-enamide Openeye Name: (E)-N-[4-(2-chloro-6-nitro-phenyl)piperazine-1-carbothioyl]-3-(4-isopropylphenyl)prop-2-enamide CAS Name: (E)-N-[[4-(2-chloro-6-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-3-(4-propan-2-ylphenyl)-2-propenamide IUPAC Name: (E)-N-[4-(2-chloro-6-nitrophenyl)piperazine-1-carbothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Traditional Name: (E)-N-[4-(2-chloro-6-nitro-phenyl)piperazine-1-carbothioyl]-3-p-cumenyl-acrylamide Formula: C23H25ClN4O3S MolecularWeight: 472.9876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=CC(=O)NC(=S)N2CCN(CC2)C3=C(C=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=C/C(=O)NC(=S)N2CCN(CC2)C3=C(C=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H25ClN4O3S/c1-16(2)18-9-6-17(7-10-18)8-11-21(29)25-23(32)27-14-12-26(13-15-27)22-19(24)4-3-5-20(22)28(30)31/h3-11,16H,12-15H2,1-2H3,(H,25,29,32)/b11-8+