1-(4-bromanyl-2-chloranyl-phenyl)-3-[(3-methyl-4-nitro-phenyl)carbonylamino]thiourea

Systemtic Name: 1-(4-bromanyl-2-chloranyl-phenyl)-3-[(3-methyl-4-nitro-phenyl)carbonylamino]thiourea Openeye Name: 1-(4-bromo-2-chloro-phenyl)-3-[(3-methyl-4-nitro-benzoyl)amino]thiourea CAS Name: 1-(4-bromo-2-chlorophenyl)-3-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(4-bromo-2-chlorophenyl)-3-[(3-methyl-4-nitrobenzoyl)amino]thiourea Traditional Name: 1-(4-bromo-2-chloro-phenyl)-3-[(3-methyl-4-nitro-benzoyl)amino]thiourea Formula: C15H12BrClN4O3S MolecularWeight: 443.70278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NNC(=S)NC2=C(C=C(C=C2)Br)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NNC(=S)NC2=C(C=C(C=C2)Br)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H12BrClN4O3S/c1-8-6-9(2-5-13(8)21(23)24)14(22)19-20-15(25)18-12-4-3-10(16)7-11(12)17/h2-7H,1H3,(H,19,22)(H2,18,20,25)