1-[2-(4-methyl-2-nitro-phenoxy)propanoylamino]-3-(oxolan-2-ylmethyl)thiourea

Systemtic Name: 1-[2-(4-methyl-2-nitro-phenoxy)propanoylamino]-3-(oxolan-2-ylmethyl)thiourea Openeye Name: 1-[2-(4-methyl-2-nitro-phenoxy)propanoylamino]-3-(tetrahydrofuran-2-ylmethyl)thiourea CAS Name: 1-[[2-(4-methyl-2-nitrophenoxy)-1-oxopropyl]amino]-3-(2-oxolanylmethyl)thiourea IUPAC Name: 1-[2-(4-methyl-2-nitrophenoxy)propanoylamino]-3-(oxolan-2-ylmethyl)thiourea Traditional Name: 1-[2-(4-methyl-2-nitro-phenoxy)propanoylamino]-3-(tetrahydrofurfuryl)thiourea Formula: C16H22N4O5S MolecularWeight: 382.43468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(C)C(=O)NNC(=S)NCC2CCCO2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC(C)C(=O)NNC(=S)NCC2CCCO2)[N+](=O)[O-]

InChI

InChI=1S/C16H22N4O5S/c1-10-5-6-14(13(8-10)20(22)23)25-11(2)15(21)18-19-16(26)17-9-12-4-3-7-24-12/h5-6,8,11-12H,3-4,7,9H2,1-2H3,(H,18,21)(H2,17,19,26)