N-[2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide

Systemtic Name: N-[2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide Openeye Name: N-[2-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide CAS Name: N-[2-[[2-(4-fluoroanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]propanamide IUPAC Name: N-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide Traditional Name: N-[2-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]propionamide Formula: C18H16FN3O2S2 MolecularWeight: 389.466943

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C18H16FN3O2S2/c1-2-16(23)21-13-7-8-14-15(9-13)26-18(22-14)25-10-17(24)20-12-5-3-11(19)4-6-12/h3-9H,2,10H2,1H3,(H,20,24)(H,21,23)