N-[4,7-bis(chloranyl)-3-methyl-1,3-benzothiazol-2-ylidene]-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-[4,7-bis(chloranyl)-3-methyl-1,3-benzothiazol-2-ylidene]-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(4,7-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: N-(4,7-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(4,7-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-benzylsulfonyl-N-(4,7-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)butyramide Formula: C19H18Cl2N2O3S2 MolecularWeight: 457.39382

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)Cl)Cl

Isomeric SMILES

CN1C2=C(C=CC(=C2SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)Cl)Cl

InChI

InChI=1S/C19H18Cl2N2O3S2/c1-23-17-14(20)9-10-15(21)18(17)27-19(23)22-16(24)8-5-11-28(25,26)12-13-6-3-2-4-7-13/h2-4,6-7,9-10H,5,8,11-12H2,1H3