N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfanyl-butanamide

Systemtic Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfanyl-butanamide Openeye Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfanyl-butanamide CAS Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-[(4-fluorophenyl)thio]butanamide IUPAC Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfanylbutanamide Traditional Name: N-(6-ethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-4-[(4-fluorophenyl)thio]butyramide Formula: C22H21FN2O2S2 MolecularWeight: 428.542743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CCCSC3=CC=C(C=C3)F)S2)CC#C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CCCSC3=CC=C(C=C3)F)S2)CC#C

InChI

InChI=1S/C22H21FN2O2S2/c1-3-13-25-19-12-9-17(27-4-2)15-20(19)29-22(25)24-21(26)6-5-14-28-18-10-7-16(23)8-11-18/h1,7-12,15H,4-6,13-14H2,2H3