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

Systemtic Name: N-[[4-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[[4-[4-[(4-ethylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[[4-[4-(4-ethylbenzoyl)piperazino]phenyl]thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C31H34N6O5S MolecularWeight: 602.70386

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCOCC5

Isomeric SMILES

CCC1=CC=C(C=C1)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/C31H34N6O5S/c1-2-22-3-5-23(6-4-22)30(39)36-15-13-34(14-16-36)25-9-7-24(8-10-25)32-31(43)33-29(38)27-21-26(37(40)41)11-12-28(27)35-17-19-42-20-18-35/h3-12,21H,2,13-20H2,1H3,(H2,32,33,38,43)