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

Systemtic Name: 1-[(4-bromanyl-3-nitro-phenyl)carbonylamino]-3-(3-methoxypropyl)-1-methyl-thiourea Openeye Name: 1-[(4-bromo-3-nitro-benzoyl)amino]-3-(3-methoxypropyl)-1-methyl-thiourea CAS Name: 1-[[(4-bromo-3-nitrophenyl)-oxomethyl]amino]-3-(3-methoxypropyl)-1-methylthiourea IUPAC Name: 1-[(4-bromo-3-nitrobenzoyl)amino]-3-(3-methoxypropyl)-1-methylthiourea Traditional Name: 1-[(4-bromo-3-nitro-benzoyl)amino]-3-(3-methoxypropyl)-1-methyl-thiourea Formula: C13H17BrN4O4S MolecularWeight: 405.26748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NCCCOC)NC(=O)C1=CC(=C(C=C1)Br)[N+](=O)[O-]

Isomeric SMILES

CN(C(=S)NCCCOC)NC(=O)C1=CC(=C(C=C1)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H17BrN4O4S/c1-17(13(23)15-6-3-7-22-2)16-12(19)9-4-5-10(14)11(8-9)18(20)21/h4-5,8H,3,6-7H2,1-2H3,(H,15,23)(H,16,19)