N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-benzylsulfonyl-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)butyramide Formula: C22H26N2O3S2 MolecularWeight: 430.58344

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC(=CC(=C2SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)C)C

Isomeric SMILES

CCN1C2=CC(=CC(=C2SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)C)C

InChI

InChI=1S/C22H26N2O3S2/c1-4-24-19-14-16(2)13-17(3)21(19)28-22(24)23-20(25)11-8-12-29(26,27)15-18-9-6-5-7-10-18/h5-7,9-10,13-14H,4,8,11-12,15H2,1-3H3