1-(3-chloranyl-4-fluoranyl-phenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea Formula: C21H15ClFN3S2 MolecularWeight: 427.945303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C21H15ClFN3S2/c1-12-2-9-18-19(10-12)28-20(26-18)13-3-5-14(6-4-13)24-21(27)25-15-7-8-17(23)16(22)11-15/h2-11H,1H3,(H2,24,25,27)