N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-3-(phenylsulfonyl)propanamide

Systemtic Name: N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)propanamide CAS Name: 3-(benzenesulfonyl)-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)propanamide IUPAC Name: 3-(benzenesulfonyl)-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)propanamide Traditional Name: 3-besyl-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)propionamide Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC(=CC(=C2SC1=NC(=O)CCS(=O)(=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CCN1C2=CC(=CC(=C2SC1=NC(=O)CCS(=O)(=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C20H22N2O3S2/c1-4-22-17-13-14(2)12-15(3)19(17)26-20(22)21-18(23)10-11-27(24,25)16-8-6-5-7-9-16/h5-9,12-13H,4,10-11H2,1-3H3