1-(3,5-dimethylphenyl)-3-(prop-2-enylcarbamothioylamino)thiourea

Systemtic Name: 1-(3,5-dimethylphenyl)-3-(prop-2-enylcarbamothioylamino)thiourea Openeye Name: 1-allyl-3-[(3,5-dimethylphenyl)carbamothioylamino]thiourea CAS Name: 1-[[(3,5-dimethylanilino)-sulfanylidenemethyl]amino]-3-prop-2-enylthiourea IUPAC Name: 1-(3,5-dimethylphenyl)-3-(prop-2-enylcarbamothioylamino)thiourea Traditional Name: 1-allyl-3-[(3,5-dimethylphenyl)thiocarbamoylamino]thiourea Formula: C13H18N4S2 MolecularWeight: 294.43882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4S2/c1-4-5-14-12(18)16-17-13(19)15-11-7-9(2)6-10(3)8-11/h4,6-8H,1,5H2,2-3H3,(H2,14,16,18)(H2,15,17,19)