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

Systemtic Name: 2-[3-(azepan-1-yl)-3-oxidanylidene-propyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[3-(azepan-1-yl)-3-oxo-propyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[3-(1-azepanyl)-3-oxopropyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[3-(azepan-1-yl)-3-oxopropyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 2-[3-(azepan-1-yl)-3-keto-propyl]-1,1-diketo-1,2-benzothiazol-3-one Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

C1CCCN(CC1)C(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C16H20N2O4S/c19-15(17-10-5-1-2-6-11-17)9-12-18-16(20)13-7-3-4-8-14(13)23(18,21)22/h3-4,7-8H,1-2,5-6,9-12H2