5-(3-chloranyl-4-methyl-phenyl)-N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-furan-2-carboxamide

Systemtic Name: 5-(3-chloranyl-4-methyl-phenyl)-N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-furan-2-carboxamide Openeye Name: 5-(3-chloro-4-methyl-phenyl)-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]furan-2-carboxamide CAS Name: 5-(3-chloro-4-methylphenyl)-N-[[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3-chloro-4-methylphenyl)-N-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazine-1-carbothioyl]furan-2-carboxamide Traditional Name: 5-(3-chloro-4-methyl-phenyl)-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]-2-furamide Formula: C27H28ClN5O5S MolecularWeight: 570.05972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)N3CCN(CC3)C4=CC(=C(C=C4)[N+](=O)[O-])N5CCOCC5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)N3CCN(CC3)C4=CC(=C(C=C4)[N+](=O)[O-])N5CCOCC5)Cl

InChI

InChI=1S/C27H28ClN5O5S/c1-18-2-3-19(16-21(18)28)24-6-7-25(38-24)26(34)29-27(39)32-10-8-30(9-11-32)20-4-5-22(33(35)36)23(17-20)31-12-14-37-15-13-31/h2-7,16-17H,8-15H2,1H3,(H,29,34,39)