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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)NCC3=NC4=CC=CC=C4S3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)NCC3=NC4=CC=CC=C4S3)OC1

InChI

InChI=1S/C21H20N2O4S/c24-16(14-6-8-17-18(12-14)27-11-3-10-26-17)7-9-20(25)22-13-21-23-15-4-1-2-5-19(15)28-21/h1-2,4-6,8,12H,3,7,9-11,13H2,(H,22,25)