N-(6-chloranyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfonyl-butanamide

Systemtic Name: N-(6-chloranyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfonyl-butanamide Openeye Name: N-(3-allyl-6-chloro-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfonyl-butanamide CAS Name: N-(6-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfonylbutanamide IUPAC Name: N-(6-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfonylbutanamide Traditional Name: N-(3-allyl-6-chloro-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfonyl-butyramide Formula: C20H18ClFN2O3S2 MolecularWeight: 452.949923

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C=C(C=C2)Cl)SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C=CCN1C2=C(C=C(C=C2)Cl)SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H18ClFN2O3S2/c1-2-11-24-17-10-5-14(21)13-18(17)28-20(24)23-19(25)4-3-12-29(26,27)16-8-6-15(22)7-9-16/h2,5-10,13H,1,3-4,11-12H2