1-(3-chloranyl-4-methyl-phenyl)-3-(3-methylbutanoylamino)thiourea

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-(3-methylbutanoylamino)thiourea Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-(3-methylbutanoylamino)thiourea CAS Name: 1-(3-chloro-4-methylphenyl)-3-[(3-methyl-1-oxobutyl)amino]thiourea IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-(3-methylbutanoylamino)thiourea Traditional Name: 1-(3-chloro-4-methyl-phenyl)-3-(isovalerylamino)thiourea Formula: C13H18ClN3OS MolecularWeight: 299.81952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClN3OS/c1-8(2)6-12(18)16-17-13(19)15-10-5-4-9(3)11(14)7-10/h4-5,7-8H,6H2,1-3H3,(H,16,18)(H2,15,17,19)