2-(azepan-1-yl)-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-(azepan-1-yl)-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-(azepan-1-yl)-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-(1-azepanyl)-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-(azepan-1-yl)-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 2-(azepan-1-yl)-1,1-diketo-1,2-benzothiazol-3-one Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)N2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

C1CCCN(CC1)N2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C13H16N2O3S/c16-13-11-7-3-4-8-12(11)19(17,18)15(13)14-9-5-1-2-6-10-14/h3-4,7-8H,1-2,5-6,9-10H2