1-(2-chloranyl-5-nitro-phenyl)-3-(3-methylbutanoylamino)thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-(3-methylbutanoylamino)thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-(3-methylbutanoylamino)thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[(3-methyl-1-oxobutyl)amino]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-(3-methylbutanoylamino)thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-(isovalerylamino)thiourea Formula: C12H15ClN4O3S MolecularWeight: 330.7905

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NNC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)CC(=O)NNC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H15ClN4O3S/c1-7(2)5-11(18)15-16-12(21)14-10-6-8(17(19)20)3-4-9(10)13/h3-4,6-7H,5H2,1-2H3,(H,15,18)(H2,14,16,21)