N-(4-fluoranyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfanyl-butanamide

Systemtic Name: N-(4-fluoranyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfanyl-butanamide Openeye Name: N-(3-allyl-4-fluoro-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfanyl-butanamide CAS Name: N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-[(4-methoxyphenyl)thio]butanamide IUPAC Name: N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfanylbutanamide Traditional Name: N-(3-allyl-4-fluoro-1,3-benzothiazol-2-ylidene)-4-[(4-methoxyphenyl)thio]butyramide Formula: C21H21FN2O2S2 MolecularWeight: 416.532043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCCC(=O)N=C2N(C3=C(C=CC=C3S2)F)CC=C

Isomeric SMILES

COC1=CC=C(C=C1)SCCCC(=O)N=C2N(C3=C(C=CC=C3S2)F)CC=C

InChI

InChI=1S/C21H21FN2O2S2/c1-3-13-24-20-17(22)6-4-7-18(20)28-21(24)23-19(25)8-5-14-27-16-11-9-15(26-2)10-12-16/h3-4,6-7,9-12H,1,5,8,13-14H2,2H3