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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCOCC2

Isomeric SMILES

CC(C)CCNC(=S)NNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCOCC2

InChI

InChI=1S/C17H25N5O4S/c1-12(2)5-6-18-17(27)20-19-16(23)14-11-13(22(24)25)3-4-15(14)21-7-9-26-10-8-21/h3-4,11-12H,5-10H2,1-2H3,(H,19,23)(H2,18,20,27)