1-[2,4-bis(fluoranyl)phenyl]-3-(2-dimethylaminoethylcarbamothioylamino)thiourea

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-3-(2-dimethylaminoethylcarbamothioylamino)thiourea Openeye Name: 1-(2,4-difluorophenyl)-3-(2-dimethylaminoethylcarbamothioylamino)thiourea CAS Name: 1-[[(2,4-difluoroanilino)-sulfanylidenemethyl]amino]-3-(2-dimethylaminoethyl)thiourea IUPAC Name: 1-(2,4-difluorophenyl)-3-(2-dimethylaminoethylcarbamothioylamino)thiourea Traditional Name: 1-(2,4-difluorophenyl)-3-(2-dimethylaminoethylthiocarbamoylamino)thiourea Formula: C12H17F2N5S2 MolecularWeight: 333.423686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=S)NNC(=S)NC1=C(C=C(C=C1)F)F

Isomeric SMILES

CN(C)CCNC(=S)NNC(=S)NC1=C(C=C(C=C1)F)F

InChI

InChI=1S/C12H17F2N5S2/c1-19(2)6-5-15-11(20)17-18-12(21)16-10-4-3-8(13)7-9(10)14/h3-4,7H,5-6H2,1-2H3,(H2,15,17,20)(H2,16,18,21)