N-[4,7-bis(chloranyl)-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene]-4-(phenylsulfonyl)butanamide

Systemtic Name: N-[4,7-bis(chloranyl)-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene]-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(4,7-dichloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: 4-(benzenesulfonyl)-N-(4,7-dichloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(4,7-dichloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-besyl-N-(4,7-dichloro-3-propargyl-1,3-benzothiazol-2-ylidene)butyramide Formula: C20H16Cl2N2O3S2 MolecularWeight: 467.38864

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=CC(=C2SC1=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)Cl)Cl

Isomeric SMILES

C#CCN1C2=C(C=CC(=C2SC1=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)Cl)Cl

InChI

InChI=1S/C20H16Cl2N2O3S2/c1-2-12-24-18-15(21)10-11-16(22)19(18)28-20(24)23-17(25)9-6-13-29(26,27)14-7-4-3-5-8-14/h1,3-5,7-8,10-11H,6,9,12-13H2