1-[[3-[(4-methyl-2-nitro-phenoxy)methyl]phenyl]carbonylamino]-3-(3-morpholin-4-ylpropyl)thiourea

Systemtic Name: 1-[[3-[(4-methyl-2-nitro-phenoxy)methyl]phenyl]carbonylamino]-3-(3-morpholin-4-ylpropyl)thiourea Openeye Name: 1-[[3-[(4-methyl-2-nitro-phenoxy)methyl]benzoyl]amino]-3-(3-morpholinopropyl)thiourea CAS Name: 1-[[[3-[(4-methyl-2-nitrophenoxy)methyl]phenyl]-oxomethyl]amino]-3-[3-(4-morpholinyl)propyl]thiourea IUPAC Name: 1-[[3-[(4-methyl-2-nitrophenoxy)methyl]benzoyl]amino]-3-(3-morpholin-4-ylpropyl)thiourea Traditional Name: 1-[[3-[(4-methyl-2-nitro-phenoxy)methyl]benzoyl]amino]-3-(3-morpholinopropyl)thiourea Formula: C23H29N5O5S MolecularWeight: 487.57186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC2=CC=CC(=C2)C(=O)NNC(=S)NCCCN3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OCC2=CC=CC(=C2)C(=O)NNC(=S)NCCCN3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C23H29N5O5S/c1-17-6-7-21(20(14-17)28(30)31)33-16-18-4-2-5-19(15-18)22(29)25-26-23(34)24-8-3-9-27-10-12-32-13-11-27/h2,4-7,14-15H,3,8-13,16H2,1H3,(H,25,29)(H2,24,26,34)