1-(3-methoxypropyl)-3-[(3,4,5-trimethoxy-2-nitro-phenyl)carbonylamino]thiourea

Systemtic Name: 1-(3-methoxypropyl)-3-[(3,4,5-trimethoxy-2-nitro-phenyl)carbonylamino]thiourea Openeye Name: 1-(3-methoxypropyl)-3-[(3,4,5-trimethoxy-2-nitro-benzoyl)amino]thiourea CAS Name: 1-(3-methoxypropyl)-3-[[oxo-(3,4,5-trimethoxy-2-nitrophenyl)methyl]amino]thiourea IUPAC Name: 1-(3-methoxypropyl)-3-[(3,4,5-trimethoxy-2-nitrobenzoyl)amino]thiourea Traditional Name: 1-(3-methoxypropyl)-3-[(3,4,5-trimethoxy-2-nitro-benzoyl)amino]thiourea Formula: C15H22N4O7S MolecularWeight: 402.42278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O7S/c1-23-7-5-6-16-15(27)18-17-14(20)9-8-10(24-2)12(25-3)13(26-4)11(9)19(21)22/h8H,5-7H2,1-4H3,(H,17,20)(H2,16,18,27)