1-[2-(4-bromophenyl)-2-fluoranyl-ethyl]-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiourea

Systemtic Name: 1-[2-(4-bromophenyl)-2-fluoranyl-ethyl]-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiourea Openeye Name: 1-[2-(4-bromophenyl)-2-fluoro-ethyl]-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiourea CAS Name: 1-[2-(4-bromophenyl)-2-fluoroethyl]-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiourea IUPAC Name: 1-[2-(4-bromophenyl)-2-fluoroethyl]-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiourea Traditional Name: 1-[2-(4-bromophenyl)-2-fluoro-ethyl]-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiourea Formula: C18H17BrFN3S2 MolecularWeight: 438.380083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)NC(=S)NCC(C3=CC=C(C=C3)Br)F

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)NC(=S)NCC(C3=CC=C(C=C3)Br)F

InChI

InChI=1S/C18H17BrFN3S2/c1-10-7-15-16(8-11(10)2)25-18(22-15)23-17(24)21-9-14(20)12-3-5-13(19)6-4-12/h3-8,14H,9H2,1-2H3,(H2,21,22,23,24)