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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC(=O)C=CC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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