1-tert-butyl-3-[(3-chlorophenyl)methyl]thiourea

Systemtic Name: 1-tert-butyl-3-[(3-chlorophenyl)methyl]thiourea Openeye Name: 1-tert-butyl-3-[(3-chlorophenyl)methyl]thiourea CAS Name: 1-tert-butyl-3-[(3-chlorophenyl)methyl]thiourea IUPAC Name: 1-tert-butyl-3-[(3-chlorophenyl)methyl]thiourea Traditional Name: 1-tert-butyl-3-(3-chlorobenzyl)thiourea Formula: C12H17ClN2S MolecularWeight: 256.79478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NCC1=CC(=CC=C1)Cl

Isomeric SMILES

CC(C)(C)NC(=S)NCC1=CC(=CC=C1)Cl

InChI

InChI=1S/C12H17ClN2S/c1-12(2,3)15-11(16)14-8-9-5-4-6-10(13)7-9/h4-7H,8H2,1-3H3,(H2,14,15,16)