1-[2-(2,4-dimethylphenyl)sulfanylethanoylamino]-3-[(4-fluorophenyl)methyl]thiourea

Systemtic Name: 1-[2-(2,4-dimethylphenyl)sulfanylethanoylamino]-3-[(4-fluorophenyl)methyl]thiourea Openeye Name: 1-[[2-(2,4-dimethylphenyl)sulfanylacetyl]amino]-3-[(4-fluorophenyl)methyl]thiourea CAS Name: 1-[[2-[(2,4-dimethylphenyl)thio]-1-oxoethyl]amino]-3-[(4-fluorophenyl)methyl]thiourea IUPAC Name: 1-[[2-(2,4-dimethylphenyl)sulfanylacetyl]amino]-3-[(4-fluorophenyl)methyl]thiourea Traditional Name: 1-[[2-[(2,4-dimethylphenyl)thio]acetyl]amino]-3-(4-fluorobenzyl)thiourea Formula: C18H20FN3OS2 MolecularWeight: 377.499303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)NNC(=S)NCC2=CC=C(C=C2)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)NNC(=S)NCC2=CC=C(C=C2)F)C

InChI

InChI=1S/C18H20FN3OS2/c1-12-3-8-16(13(2)9-12)25-11-17(23)21-22-18(24)20-10-14-4-6-15(19)7-5-14/h3-9H,10-11H2,1-2H3,(H,21,23)(H2,20,22,24)