1-[2-(2,5-dimethylphenyl)sulfanylethanoylamino]-3-[(4-fluorophenyl)methyl]thiourea

Systemtic Name: 1-[2-(2,5-dimethylphenyl)sulfanylethanoylamino]-3-[(4-fluorophenyl)methyl]thiourea Openeye Name: 1-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-3-[(4-fluorophenyl)methyl]thiourea CAS Name: 1-[[2-[(2,5-dimethylphenyl)thio]-1-oxoethyl]amino]-3-[(4-fluorophenyl)methyl]thiourea IUPAC Name: 1-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-3-[(4-fluorophenyl)methyl]thiourea Traditional Name: 1-[[2-[(2,5-dimethylphenyl)thio]acetyl]amino]-3-(4-fluorobenzyl)thiourea Formula: C18H20FN3OS2 MolecularWeight: 377.499303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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