N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfanyl-butanamide

Systemtic Name: N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfanyl-butanamide Openeye Name: N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfanyl-butanamide CAS Name: N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-[(4-fluorophenyl)thio]butanamide IUPAC Name: N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfanylbutanamide Traditional Name: N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-[(4-fluorophenyl)thio]butyramide Formula: C20H21FN2OS2 MolecularWeight: 388.521943

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=NC(=O)CCCSC3=CC=C(C=C3)F)N2C

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=NC(=O)CCCSC3=CC=C(C=C3)F)N2C

InChI

InChI=1S/C20H21FN2OS2/c1-3-14-6-4-7-17-19(14)23(2)20(26-17)22-18(24)8-5-13-25-16-11-9-15(21)10-12-16/h4,6-7,9-12H,3,5,8,13H2,1-2H3