1-[[5-[(3-methyl-4-nitro-phenoxy)methyl]furan-2-yl]carbonylamino]-3-(3-morpholin-4-ylpropyl)thiourea

Systemtic Name: 1-[[5-[(3-methyl-4-nitro-phenoxy)methyl]furan-2-yl]carbonylamino]-3-(3-morpholin-4-ylpropyl)thiourea Openeye Name: 1-[[5-[(3-methyl-4-nitro-phenoxy)methyl]furan-2-carbonyl]amino]-3-(3-morpholinopropyl)thiourea CAS Name: 1-[[[5-[(3-methyl-4-nitrophenoxy)methyl]-2-furanyl]-oxomethyl]amino]-3-[3-(4-morpholinyl)propyl]thiourea IUPAC Name: 1-[[5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carbonyl]amino]-3-(3-morpholin-4-ylpropyl)thiourea Traditional Name: 1-[[5-[(3-methyl-4-nitro-phenoxy)methyl]-2-furoyl]amino]-3-(3-morpholinopropyl)thiourea Formula: C21H27N5O6S MolecularWeight: 477.53398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=CC=C(O2)C(=O)NNC(=S)NCCCN3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=CC=C(O2)C(=O)NNC(=S)NCCCN3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H27N5O6S/c1-15-13-16(3-5-18(15)26(28)29)31-14-17-4-6-19(32-17)20(27)23-24-21(33)22-7-2-8-25-9-11-30-12-10-25/h3-6,13H,2,7-12,14H2,1H3,(H,23,27)(H2,22,24,33)