1-[6-(4-fluoranylphenoxy)-1,3-benzothiazol-2-yl]-3-(2-piperazin-1-ylethyl)urea

Systemtic Name: 1-[6-(4-fluoranylphenoxy)-1,3-benzothiazol-2-yl]-3-(2-piperazin-1-ylethyl)urea Openeye Name: 1-[6-(4-fluorophenoxy)-1,3-benzothiazol-2-yl]-3-(2-piperazin-1-ylethyl)urea CAS Name: 1-[6-(4-fluorophenoxy)-1,3-benzothiazol-2-yl]-3-[2-(1-piperazinyl)ethyl]urea IUPAC Name: 1-[6-(4-fluorophenoxy)-1,3-benzothiazol-2-yl]-3-(2-piperazin-1-ylethyl)urea Traditional Name: 1-[6-(4-fluorophenoxy)-1,3-benzothiazol-2-yl]-3-(2-piperazinoethyl)urea Formula: C20H22FN5O2S MolecularWeight: 415.484383

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCNC(=O)NC2=NC3=C(S2)C=C(C=C3)OC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1)CCNC(=O)NC2=NC3=C(S2)C=C(C=C3)OC4=CC=C(C=C4)F

InChI

InChI=1S/C20H22FN5O2S/c21-14-1-3-15(4-2-14)28-16-5-6-17-18(13-16)29-20(24-17)25-19(27)23-9-12-26-10-7-22-8-11-26/h1-6,13,22H,7-12H2,(H2,23,24,25,27)