1-(tert-butylamino)-3-(3-methylsulfanylphenyl)thiourea

Systemtic Name: 1-(tert-butylamino)-3-(3-methylsulfanylphenyl)thiourea Openeye Name: 1-(tert-butylamino)-3-(3-methylsulfanylphenyl)thiourea CAS Name: 1-(tert-butylamino)-3-[3-(methylthio)phenyl]thiourea IUPAC Name: 1-(tert-butylamino)-3-(3-methylsulfanylphenyl)thiourea Traditional Name: 1-(tert-butylamino)-3-[3-(methylthio)phenyl]thiourea Formula: C12H19N3S2 MolecularWeight: 269.42936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NNC(=S)NC1=CC(=CC=C1)SC

Isomeric SMILES

CC(C)(C)NNC(=S)NC1=CC(=CC=C1)SC

InChI

InChI=1S/C12H19N3S2/c1-12(2,3)15-14-11(16)13-9-6-5-7-10(8-9)17-4/h5-8,15H,1-4H3,(H2,13,14,16)