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

Systemtic Name: 1-[2-(2,5-dimethoxyphenyl)ethyl]-3-(4-fluoranyl-1,3-benzothiazol-2-yl)thiourea Openeye Name: 1-[2-(2,5-dimethoxyphenyl)ethyl]-3-(4-fluoro-1,3-benzothiazol-2-yl)thiourea CAS Name: 1-[2-(2,5-dimethoxyphenyl)ethyl]-3-(4-fluoro-1,3-benzothiazol-2-yl)thiourea IUPAC Name: 1-[2-(2,5-dimethoxyphenyl)ethyl]-3-(4-fluoro-1,3-benzothiazol-2-yl)thiourea Traditional Name: 1-[2-(2,5-dimethoxyphenyl)ethyl]-3-(4-fluoro-1,3-benzothiazol-2-yl)thiourea Formula: C18H18FN3O2S2 MolecularWeight: 391.482823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CCNC(=S)NC2=NC3=C(C=CC=C3S2)F

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CCNC(=S)NC2=NC3=C(C=CC=C3S2)F

InChI

InChI=1S/C18H18FN3O2S2/c1-23-12-6-7-14(24-2)11(10-12)8-9-20-17(25)22-18-21-16-13(19)4-3-5-15(16)26-18/h3-7,10H,8-9H2,1-2H3,(H2,20,21,22,25)