1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-[2-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-[2-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-[2-(trifluoromethyl)phenyl]thiourea CAS Name: 1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-[2-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-[2-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-[2-(trifluoromethyl)phenyl]thiourea Formula: C17H14F3N3S2 MolecularWeight: 381.43837

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)NC(=S)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)NC(=S)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C17H14F3N3S2/c1-9-7-13-14(8-10(9)2)25-16(22-13)23-15(24)21-12-6-4-3-5-11(12)17(18,19)20/h3-8H,1-2H3,(H2,21,22,23,24)