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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N5O4S/c1-2-3-4-7-18-17(27)20-19-16(23)14-12-13(22(24)25)5-6-15(14)21-8-10-26-11-9-21/h5-6,12H,2-4,7-11H2,1H3,(H,19,23)(H2,18,20,27)