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

Systemtic Name: ethyl 5-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylcarbamothioylamino]-2-morpholin-4-yl-benzoate Openeye Name: ethyl 5-[[4-(4-methyl-1-piperidyl)-3-nitro-benzoyl]carbamothioylamino]-2-morpholino-benzoate CAS Name: 5-[[[[[4-(4-methyl-1-piperidinyl)-3-nitrophenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-(4-morpholinyl)benzoic acid ethyl ester IUPAC Name: ethyl 5-[[4-(4-methylpiperidin-1-yl)-3-nitrobenzoyl]carbamothioylamino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[[4-(4-methylpiperidino)-3-nitro-benzoyl]thiocarbamoylamino]-2-morpholino-benzoic acid ethyl ester Formula: C27H33N5O6S MolecularWeight: 555.64582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCC(CC3)C)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCC(CC3)C)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C27H33N5O6S/c1-3-38-26(34)21-17-20(5-7-22(21)31-12-14-37-15-13-31)28-27(39)29-25(33)19-4-6-23(24(16-19)32(35)36)30-10-8-18(2)9-11-30/h4-7,16-18H,3,8-15H2,1-2H3,(H2,28,29,33,39)