1-benzo[e][1,3]benzothiazol-2-yl-3-[3-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-benzo[e][1,3]benzothiazol-2-yl-3-[3-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-benzo[e][1,3]benzothiazol-2-yl-3-[3-(trifluoromethyl)phenyl]thiourea CAS Name: 1-(2-benzo[e][1,3]benzothiazolyl)-3-[3-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-benzo[e][1,3]benzothiazol-2-yl-3-[3-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-benzo[e][1,3]benzothiazol-2-yl-3-[3-(trifluoromethyl)phenyl]thiourea Formula: C19H12F3N3S2 MolecularWeight: 403.44389

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2N=C(S3)NC(=S)NC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2N=C(S3)NC(=S)NC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C19H12F3N3S2/c20-19(21,22)12-5-3-6-13(10-12)23-17(26)25-18-24-16-14-7-2-1-4-11(14)8-9-15(16)27-18/h1-10H,(H2,23,24,25,26)