N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-3-(3-fluoranyl-4-methoxy-phenyl)propanamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-3-(3-fluoranyl-4-methoxy-phenyl)propanamide Openeye Name: N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-3-(3-fluoro-4-methoxy-phenyl)propanamide CAS Name: N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide IUPAC Name: N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide Traditional Name: N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-3-(3-fluoro-4-methoxy-phenyl)propionamide Formula: C19H20FN3O2S MolecularWeight: 373.444403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NCCNC2=NC3=CC=CC=C3S2)F

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NCCNC2=NC3=CC=CC=C3S2)F

InChI

InChI=1S/C19H20FN3O2S/c1-25-16-8-6-13(12-14(16)20)7-9-18(24)21-10-11-22-19-23-15-4-2-3-5-17(15)26-19/h2-6,8,12H,7,9-11H2,1H3,(H,21,24)(H,22,23)