1-(3-chloranyl-4-fluoranyl-phenyl)-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiourea

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiourea Formula: C16H13ClFN3S2 MolecularWeight: 365.875923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)NC(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)NC(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C16H13ClFN3S2/c1-8-5-13-14(6-9(8)2)23-16(20-13)21-15(22)19-10-3-4-12(18)11(17)7-10/h3-7H,1-2H3,(H2,19,20,21,22)