1-[2,2-dimethyl-3-[(2-methylphenyl)carbamothioylamino]propyl]-3-(2-methylphenyl)thiourea

Systemtic Name: 1-[2,2-dimethyl-3-[(2-methylphenyl)carbamothioylamino]propyl]-3-(2-methylphenyl)thiourea Openeye Name: 1-[2,2-dimethyl-3-(o-tolylcarbamothioylamino)propyl]-3-(o-tolyl)thiourea CAS Name: 1-[2,2-dimethyl-3-[[(2-methylanilino)-sulfanylidenemethyl]amino]propyl]-3-(2-methylphenyl)thiourea IUPAC Name: 1-[2,2-dimethyl-3-[(2-methylphenyl)carbamothioylamino]propyl]-3-(2-methylphenyl)thiourea Traditional Name: 1-[2,2-dimethyl-3-(o-tolylthiocarbamoylamino)propyl]-3-(o-tolyl)thiourea Formula: C21H28N4S2 MolecularWeight: 400.60382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NCC(C)(C)CNC(=S)NC2=CC=CC=C2C

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NCC(C)(C)CNC(=S)NC2=CC=CC=C2C

InChI

InChI=1S/C21H28N4S2/c1-15-9-5-7-11-17(15)24-19(26)22-13-21(3,4)14-23-20(27)25-18-12-8-6-10-16(18)2/h5-12H,13-14H2,1-4H3,(H2,22,24,26)(H2,23,25,27)