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

Systemtic Name: 1-[2-(4-bromophenyl)-2-fluoranyl-ethyl]-3-(6-methoxy-1,3-benzothiazol-2-yl)thiourea Openeye Name: 1-[2-(4-bromophenyl)-2-fluoro-ethyl]-3-(6-methoxy-1,3-benzothiazol-2-yl)thiourea CAS Name: 1-[2-(4-bromophenyl)-2-fluoroethyl]-3-(6-methoxy-1,3-benzothiazol-2-yl)thiourea IUPAC Name: 1-[2-(4-bromophenyl)-2-fluoroethyl]-3-(6-methoxy-1,3-benzothiazol-2-yl)thiourea Traditional Name: 1-[2-(4-bromophenyl)-2-fluoro-ethyl]-3-(6-methoxy-1,3-benzothiazol-2-yl)thiourea Formula: C17H15BrFN3OS2 MolecularWeight: 440.352903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=S)NCC(C3=CC=C(C=C3)Br)F

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=S)NCC(C3=CC=C(C=C3)Br)F

InChI

InChI=1S/C17H15BrFN3OS2/c1-23-12-6-7-14-15(8-12)25-17(21-14)22-16(24)20-9-13(19)10-2-4-11(18)5-3-10/h2-8,13H,9H2,1H3,(H2,20,21,22,24)