3-(3-chloranyl-4-fluoranyl-phenyl)-1-[(5-methylthiophen-2-yl)methyl]-1-phenethyl-thiourea

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-1-[(5-methylthiophen-2-yl)methyl]-1-phenethyl-thiourea Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-1-[(5-methyl-2-thienyl)methyl]-1-phenethyl-thiourea CAS Name: 3-(3-chloro-4-fluorophenyl)-1-[(5-methyl-2-thiophenyl)methyl]-1-phenethylthiourea IUPAC Name: 3-(3-chloro-4-fluorophenyl)-1-[(5-methylthiophen-2-yl)methyl]-1-phenethylthiourea Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-1-[(5-methyl-2-thienyl)methyl]-1-phenethyl-thiourea Formula: C21H20ClFN2S2 MolecularWeight: 418.978303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H20ClFN2S2/c1-15-7-9-18(27-15)14-25(12-11-16-5-3-2-4-6-16)21(26)24-17-8-10-20(23)19(22)13-17/h2-10,13H,11-12,14H2,1H3,(H,24,26)