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

Systemtic Name: (E)-N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-3-(furan-2-yl)prop-2-enamide Openeye Name: (E)-N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-3-(2-furyl)prop-2-enamide CAS Name: (E)-N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-3-(2-furanyl)-2-propenamide IUPAC Name: (E)-N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3-(furan-2-yl)prop-2-enamide Traditional Name: (E)-N-[4-(2-chloro-4-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=C(C=C2)[N+](=O)[O-])Cl)C(=S)NC(=O)C=CC3=CC=CO3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=S)NC(=O)/C=C/C3=CC=CO3

InChI

InChI=1S/C18H17ClN4O4S/c19-15-12-13(23(25)26)3-5-16(15)21-7-9-22(10-8-21)18(28)20-17(24)6-4-14-2-1-11-27-14/h1-6,11-12H,7-10H2,(H,20,24,28)/b6-4+