ethyl 4-morpholin-4-yl-3-[(5-nitro-2-piperidin-1-yl-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-morpholin-4-yl-3-[(5-nitro-2-piperidin-1-yl-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-morpholino-3-[[5-nitro-2-(1-piperidyl)benzoyl]carbamothioylamino]benzoate CAS Name: 4-(4-morpholinyl)-3-[[[[[5-nitro-2-(1-piperidinyl)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-morpholin-4-yl-3-[(5-nitro-2-piperidin-1-ylbenzoyl)carbamothioylamino]benzoate Traditional Name: 4-morpholino-3-[(5-nitro-2-piperidino-benzoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C26H31N5O6S MolecularWeight: 541.61924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCCC4

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCCC4

InChI

InChI=1S/C26H31N5O6S/c1-2-37-25(33)18-6-8-23(30-12-14-36-15-13-30)21(16-18)27-26(38)28-24(32)20-17-19(31(34)35)7-9-22(20)29-10-4-3-5-11-29/h6-9,16-17H,2-5,10-15H2,1H3,(H2,27,28,32,38)