1-methyl-3-(2-methylpropyl)-1-[(5-morpholin-4-yl-2-nitro-phenyl)carbonylamino]thiourea

Systemtic Name: 1-methyl-3-(2-methylpropyl)-1-[(5-morpholin-4-yl-2-nitro-phenyl)carbonylamino]thiourea Openeye Name: 3-isobutyl-1-methyl-1-[(5-morpholino-2-nitro-benzoyl)amino]thiourea CAS Name: 1-methyl-3-(2-methylpropyl)-1-[[[5-(4-morpholinyl)-2-nitrophenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-methyl-3-(2-methylpropyl)-1-[(5-morpholin-4-yl-2-nitrobenzoyl)amino]thiourea Traditional Name: 3-isobutyl-1-methyl-1-[(5-morpholino-2-nitro-benzoyl)amino]thiourea Formula: C17H25N5O4S MolecularWeight: 395.4765

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=S)N(C)NC(=O)C1=C(C=CC(=C1)N2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CNC(=S)N(C)NC(=O)C1=C(C=CC(=C1)N2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C17H25N5O4S/c1-12(2)11-18-17(27)20(3)19-16(23)14-10-13(4-5-15(14)22(24)25)21-6-8-26-9-7-21/h4-5,10,12H,6-9,11H2,1-3H3,(H,18,27)(H,19,23)