1-(2-chloranyl-4,6-dimethyl-phenyl)-3-(3-methylbutanoylamino)thiourea

Systemtic Name: 1-(2-chloranyl-4,6-dimethyl-phenyl)-3-(3-methylbutanoylamino)thiourea Openeye Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-(3-methylbutanoylamino)thiourea CAS Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[(3-methyl-1-oxobutyl)amino]thiourea IUPAC Name: 1-(2-chloro-4,6-dimethylphenyl)-3-(3-methylbutanoylamino)thiourea Traditional Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-(isovalerylamino)thiourea Formula: C14H20ClN3OS MolecularWeight: 313.8461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)NNC(=O)CC(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)NNC(=O)CC(C)C)C

InChI

InChI=1S/C14H20ClN3OS/c1-8(2)5-12(19)17-18-14(20)16-13-10(4)6-9(3)7-11(13)15/h6-8H,5H2,1-4H3,(H,17,19)(H2,16,18,20)