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

Systemtic Name: 3-(4-chlorophenyl)-N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-prop-2-enamide Openeye Name: 3-(4-chlorophenyl)-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]prop-2-enamide CAS Name: 3-(4-chlorophenyl)-N-[[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]-sulfanylidenemethyl]-2-propenamide IUPAC Name: 3-(4-chlorophenyl)-N-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazine-1-carbothioyl]prop-2-enamide Traditional Name: 3-(4-chlorophenyl)-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]acrylamide Formula: C24H26ClN5O4S MolecularWeight: 516.01234

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=S)NC(=O)C=CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=S)NC(=O)C=CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H26ClN5O4S/c25-19-4-1-18(2-5-19)3-8-23(31)26-24(35)29-11-9-27(10-12-29)20-6-7-21(30(32)33)22(17-20)28-13-15-34-16-14-28/h1-8,17H,9-16H2,(H,26,31,35)