1-(3-methoxypropyl)-3-[(3-methyl-4-nitro-phenyl)carbonylamino]thiourea

Systemtic Name: 1-(3-methoxypropyl)-3-[(3-methyl-4-nitro-phenyl)carbonylamino]thiourea Openeye Name: 1-(3-methoxypropyl)-3-[(3-methyl-4-nitro-benzoyl)amino]thiourea CAS Name: 1-(3-methoxypropyl)-3-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(3-methoxypropyl)-3-[(3-methyl-4-nitrobenzoyl)amino]thiourea Traditional Name: 1-(3-methoxypropyl)-3-[(3-methyl-4-nitro-benzoyl)amino]thiourea Formula: C13H18N4O4S MolecularWeight: 326.37142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O4S/c1-9-8-10(4-5-11(9)17(19)20)12(18)15-16-13(22)14-6-3-7-21-2/h4-5,8H,3,6-7H2,1-2H3,(H,15,18)(H2,14,16,22)