1-(1,3-benzothiazol-2-ylmethyl)-3-(3-chloranyl-4-fluoranyl-phenyl)-1-methyl-thiourea

Systemtic Name: 1-(1,3-benzothiazol-2-ylmethyl)-3-(3-chloranyl-4-fluoranyl-phenyl)-1-methyl-thiourea Openeye Name: 1-(1,3-benzothiazol-2-ylmethyl)-3-(3-chloro-4-fluoro-phenyl)-1-methyl-thiourea CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-3-(3-chloro-4-fluorophenyl)-1-methylthiourea IUPAC Name: 1-(1,3-benzothiazol-2-ylmethyl)-3-(3-chloro-4-fluorophenyl)-1-methylthiourea Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)-3-(3-chloro-4-fluoro-phenyl)-1-methyl-thiourea Formula: C16H13ClFN3S2 MolecularWeight: 365.875923

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C16H13ClFN3S2/c1-21(9-15-20-13-4-2-3-5-14(13)23-15)16(22)19-10-6-7-12(18)11(17)8-10/h2-8H,9H2,1H3,(H,19,22)