4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)-4-oxidanylidene-butanamide

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)-4-oxidanylidene-butanamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)-4-oxo-butanamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)-4-oxobutanamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)-4-oxobutanamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-N-(2-methyl-1,3-benzothiazol-6-yl)butyramide Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)CCC(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)CCC(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H20N2O4S/c1-13-22-16-5-4-15(12-20(16)28-13)23-21(25)8-6-17(24)14-3-7-18-19(11-14)27-10-2-9-26-18/h3-5,7,11-12H,2,6,8-10H2,1H3,(H,23,25)