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

Systemtic Name: ethyl 4-morpholin-4-yl-3-[(2-morpholin-4-yl-5-nitro-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-morpholino-3-[(2-morpholino-5-nitro-benzoyl)carbamothioylamino]benzoate CAS Name: 4-(4-morpholinyl)-3-[[[[[2-(4-morpholinyl)-5-nitrophenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-morpholin-4-yl-3-[(2-morpholin-4-yl-5-nitrobenzoyl)carbamothioylamino]benzoate Traditional Name: 4-morpholino-3-[(2-morpholino-5-nitro-benzoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C25H29N5O7S MolecularWeight: 543.59206

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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-])N4CCOCC4

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C25H29N5O7S/c1-2-37-24(32)17-3-5-22(29-9-13-36-14-10-29)20(15-17)26-25(38)27-23(31)19-16-18(30(33)34)4-6-21(19)28-7-11-35-12-8-28/h3-6,15-16H,2,7-14H2,1H3,(H2,26,27,31,38)