1-(3,4-dimethylphenyl)-3-(pentylcarbamothioylamino)thiourea

Systemtic Name: 1-(3,4-dimethylphenyl)-3-(pentylcarbamothioylamino)thiourea Openeye Name: 1-(3,4-dimethylphenyl)-3-(pentylcarbamothioylamino)thiourea CAS Name: 1-[[(3,4-dimethylanilino)-sulfanylidenemethyl]amino]-3-pentylthiourea IUPAC Name: 1-(3,4-dimethylphenyl)-3-(pentylcarbamothioylamino)thiourea Traditional Name: 1-amyl-3-[(3,4-dimethylphenyl)thiocarbamoylamino]thiourea Formula: C15H24N4S2 MolecularWeight: 324.50786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N4S2/c1-4-5-6-9-16-14(20)18-19-15(21)17-13-8-7-11(2)12(3)10-13/h7-8,10H,4-6,9H2,1-3H3,(H2,16,18,20)(H2,17,19,21)