1-(3-morpholin-4-ylpropyl)-3-[[3-[(4-nitrophenoxy)methyl]phenyl]carbonylamino]thiourea

Systemtic Name: 1-(3-morpholin-4-ylpropyl)-3-[[3-[(4-nitrophenoxy)methyl]phenyl]carbonylamino]thiourea Openeye Name: 1-(3-morpholinopropyl)-3-[[3-[(4-nitrophenoxy)methyl]benzoyl]amino]thiourea CAS Name: 1-[3-(4-morpholinyl)propyl]-3-[[[3-[(4-nitrophenoxy)methyl]phenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(3-morpholin-4-ylpropyl)-3-[[3-[(4-nitrophenoxy)methyl]benzoyl]amino]thiourea Traditional Name: 1-(3-morpholinopropyl)-3-[[3-[(4-nitrophenoxy)methyl]benzoyl]amino]thiourea Formula: C22H27N5O5S MolecularWeight: 473.54528

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC(=S)NNC(=O)C2=CC(=CC=C2)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCCNC(=S)NNC(=O)C2=CC(=CC=C2)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H27N5O5S/c28-21(24-25-22(33)23-9-2-10-26-11-13-31-14-12-26)18-4-1-3-17(15-18)16-32-20-7-5-19(6-8-20)27(29)30/h1,3-8,15H,2,9-14,16H2,(H,24,28)(H2,23,25,33)