3-[5-(4-chlorophenyl)furan-2-yl]-N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-prop-2-enamide

Systemtic Name: 3-[5-(4-chlorophenyl)furan-2-yl]-N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-prop-2-enamide Openeye Name: 3-[5-(4-chlorophenyl)-2-furyl]-N-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazine-1-carbothioyl]prop-2-enamide CAS Name: 3-[5-(4-chlorophenyl)-2-furanyl]-N-[[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]-2-propenamide IUPAC Name: 3-[5-(4-chlorophenyl)furan-2-yl]-N-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazine-1-carbothioyl]prop-2-enamide Traditional Name: 3-[5-(4-chlorophenyl)-2-furyl]-N-[4-(4-nitro-3-piperidino-phenyl)piperazine-1-carbothioyl]acrylamide Formula: C29H30ClN5O4S MolecularWeight: 580.0976

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=S)NC(=O)C=CC4=CC=C(O4)C5=CC=C(C=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=S)NC(=O)C=CC4=CC=C(O4)C5=CC=C(C=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C29H30ClN5O4S/c30-22-6-4-21(5-7-22)27-12-9-24(39-27)10-13-28(36)31-29(40)34-18-16-32(17-19-34)23-8-11-25(35(37)38)26(20-23)33-14-2-1-3-15-33/h4-13,20H,1-3,14-19H2,(H,31,36,40)