1-butyl-3-[(3,4-dimethylphenyl)carbamothioylamino]thiourea

Systemtic Name: 1-butyl-3-[(3,4-dimethylphenyl)carbamothioylamino]thiourea Openeye Name: 1-butyl-3-[(3,4-dimethylphenyl)carbamothioylamino]thiourea CAS Name: 1-butyl-3-[[(3,4-dimethylanilino)-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-butyl-3-[(3,4-dimethylphenyl)carbamothioylamino]thiourea Traditional Name: 1-butyl-3-[(3,4-dimethylphenyl)thiocarbamoylamino]thiourea Formula: C14H22N4S2 MolecularWeight: 310.48128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N4S2/c1-4-5-8-15-13(19)17-18-14(20)16-12-7-6-10(2)11(3)9-12/h6-7,9H,4-5,8H2,1-3H3,(H2,15,17,19)(H2,16,18,20)