N-[[4-[4-(5-chloranyl-2-methoxy-phenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[[4-[4-(5-chloranyl-2-methoxy-phenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[[4-[4-(5-chloro-2-methoxy-benzoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[[4-[4-[(5-chloro-2-methoxyphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[[4-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[[4-[4-(5-chloro-2-methoxy-benzoyl)piperazino]phenyl]thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C30H31ClN6O6S MolecularWeight: 639.12174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCOCC5

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCOCC5

InChI

InChI=1S/C30H31ClN6O6S/c1-42-27-9-2-20(31)18-25(27)29(39)36-12-10-34(11-13-36)22-5-3-21(4-6-22)32-30(44)33-28(38)24-19-23(37(40)41)7-8-26(24)35-14-16-43-17-15-35/h2-9,18-19H,10-17H2,1H3,(H2,32,33,38,44)