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

Systemtic Name: 1-[[5-[(3-methyl-4-nitro-phenoxy)methyl]furan-2-yl]carbonylamino]-3-(2-methylpropyl)thiourea Openeye Name: 1-isobutyl-3-[[5-[(3-methyl-4-nitro-phenoxy)methyl]furan-2-carbonyl]amino]thiourea CAS Name: 1-[[[5-[(3-methyl-4-nitrophenoxy)methyl]-2-furanyl]-oxomethyl]amino]-3-(2-methylpropyl)thiourea IUPAC Name: 1-[[5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carbonyl]amino]-3-(2-methylpropyl)thiourea Traditional Name: 1-isobutyl-3-[[5-[(3-methyl-4-nitro-phenoxy)methyl]-2-furoyl]amino]thiourea Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O5S/c1-11(2)9-19-18(28)21-20-17(23)16-7-5-14(27-16)10-26-13-4-6-15(22(24)25)12(3)8-13/h4-8,11H,9-10H2,1-3H3,(H,20,23)(H2,19,21,28)