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

Systemtic Name: (E)-N-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbothioyl-3-(furan-2-yl)prop-2-enamide Openeye Name: (E)-N-[4-(2-chloro-6-nitro-phenyl)piperazine-1-carbothioyl]-3-(2-furyl)prop-2-enamide CAS Name: (E)-N-[[4-(2-chloro-6-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-3-(2-furanyl)-2-propenamide IUPAC Name: (E)-N-[4-(2-chloro-6-nitrophenyl)piperazine-1-carbothioyl]-3-(furan-2-yl)prop-2-enamide Traditional Name: (E)-N-[4-(2-chloro-6-nitro-phenyl)piperazine-1-carbothioyl]-3-(2-furyl)acrylamide Formula: C18H17ClN4O4S MolecularWeight: 420.86998

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=C2Cl)[N+](=O)[O-])C(=S)NC(=O)C=CC3=CC=CO3

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=C2Cl)[N+](=O)[O-])C(=S)NC(=O)/C=C/C3=CC=CO3

InChI

InChI=1S/C18H17ClN4O4S/c19-14-4-1-5-15(23(25)26)17(14)21-8-10-22(11-9-21)18(28)20-16(24)7-6-13-3-2-12-27-13/h1-7,12H,8-11H2,(H,20,24,28)/b7-6+