1-(2,3-dimethylphenyl)-3-(3-methylbutanoylamino)thiourea

Systemtic Name: 1-(2,3-dimethylphenyl)-3-(3-methylbutanoylamino)thiourea Openeye Name: 1-(2,3-dimethylphenyl)-3-(3-methylbutanoylamino)thiourea CAS Name: 1-(2,3-dimethylphenyl)-3-[(3-methyl-1-oxobutyl)amino]thiourea IUPAC Name: 1-(2,3-dimethylphenyl)-3-(3-methylbutanoylamino)thiourea Traditional Name: 1-(2,3-dimethylphenyl)-3-(isovalerylamino)thiourea Formula: C14H21N3OS MolecularWeight: 279.40104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3OS/c1-9(2)8-13(18)16-17-14(19)15-12-7-5-6-10(3)11(12)4/h5-7,9H,8H2,1-4H3,(H,16,18)(H2,15,17,19)