3-(1,3-benzothiazol-2-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl]propanamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-ethyl-N-[2-[(4-fluorobenzyl)amino]-2-keto-ethyl]propionamide Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NCC1=CC=C(C=C1)F)C(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCN(CC(=O)NCC1=CC=C(C=C1)F)C(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H22FN3O2S/c1-2-25(14-19(26)23-13-15-7-9-16(22)10-8-15)21(27)12-11-20-24-17-5-3-4-6-18(17)28-20/h3-10H,2,11-14H2,1H3,(H,23,26)