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

Systemtic Name: 1-(azepan-1-yl)-3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propan-1-one Openeye Name: 1-(azepan-1-yl)-3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propan-1-one CAS Name: 1-(1-azepanyl)-3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propan-1-one Traditional Name: 1-(azepan-1-yl)-3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propan-1-one Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

C1CCCN(CC1)C(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C16H21N3O3S/c20-15(19-11-5-1-2-6-12-19)9-10-17-16-13-7-3-4-8-14(13)23(21,22)18-16/h3-4,7-8H,1-2,5-6,9-12H2,(H,17,18)