N-[[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[5-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[[5-chloro-2-(4-propionylpiperazino)phenyl]thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C25H29ClN6O5S MolecularWeight: 561.05296

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C25H29ClN6O5S/c1-2-23(33)31-9-7-29(8-10-31)20-6-4-18(26)16-19(20)27-25(38)28-24(34)17-3-5-21(22(15-17)32(35)36)30-11-13-37-14-12-30/h3-6,15-16H,2,7-14H2,1H3,(H2,27,28,34,38)