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

Systemtic Name: N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]butanamide CAS Name: N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]butanamide Traditional Name: 4-benzylsulfonyl-N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]butyramide Formula: C24H30N2O4S2 MolecularWeight: 474.636

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=CC(=CC(=C2SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)C)C

Isomeric SMILES

CCOCCN1C2=CC(=CC(=C2SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)C)C

InChI

InChI=1S/C24H30N2O4S2/c1-4-30-13-12-26-21-16-18(2)15-19(3)23(21)31-24(26)25-22(27)11-8-14-32(28,29)17-20-9-6-5-7-10-20/h5-7,9-10,15-16H,4,8,11-14,17H2,1-3H3