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

Systemtic Name: 3-(2,4-dichlorophenyl)-N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-prop-2-enamide Openeye Name: 3-(2,4-dichlorophenyl)-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]prop-2-enamide CAS Name: 3-(2,4-dichlorophenyl)-N-[[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]-sulfanylidenemethyl]-2-propenamide IUPAC Name: 3-(2,4-dichlorophenyl)-N-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazine-1-carbothioyl]prop-2-enamide Traditional Name: 3-(2,4-dichlorophenyl)-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]acrylamide Formula: C24H25Cl2N5O4S MolecularWeight: 550.4574

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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=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H25Cl2N5O4S/c25-18-3-1-17(20(26)15-18)2-6-23(32)27-24(36)30-9-7-28(8-10-30)19-4-5-21(31(33)34)22(16-19)29-11-13-35-14-12-29/h1-6,15-16H,7-14H2,(H,27,32,36)