1-(azepan-1-yl)-2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]hexan-1-one

Systemtic Name: 1-(azepan-1-yl)-2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]hexan-1-one Openeye Name: 1-(azepan-1-yl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]hexan-1-one CAS Name: 1-(1-azepanyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-hexanone IUPAC Name: 1-(azepan-1-yl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]hexan-1-one Traditional Name: 1-(azepan-1-yl)-2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]hexan-1-one Formula: C19H27N3O3S MolecularWeight: 377.50098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N1CCCCCC1)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CCCCC(C(=O)N1CCCCCC1)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C19H27N3O3S/c1-2-3-11-16(19(23)22-13-8-4-5-9-14-22)20-18-15-10-6-7-12-17(15)26(24,25)21-18/h6-7,10,12,16H,2-5,8-9,11,13-14H2,1H3,(H,20,21)