N-[4-(1,3-benzothiazol-2-ylamino)-4-oxidanylidene-butyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-ylamino)-4-oxidanylidene-butyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[4-(1,3-benzothiazol-2-ylamino)-4-oxo-butyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[4-(1,3-benzothiazol-2-ylamino)-4-oxobutyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[4-(1,3-benzothiazol-2-ylamino)-4-oxobutyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[4-(1,3-benzothiazol-2-ylamino)-4-keto-butyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)NCCCC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)C(=O)NCCCC(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H19N3O4S/c24-18(23-20-22-13-6-1-4-9-17(13)28-20)10-5-11-21-19(25)16-12-26-14-7-2-3-8-15(14)27-16/h1-4,6-9,16H,5,10-12H2,(H,21,25)(H,22,23,24)