1,1-bis(oxidanylidene)-2-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethyl]-1,2-benzothiazol-3-one

Systemtic Name: 1,1-bis(oxidanylidene)-2-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethyl]-1,2-benzothiazol-3-one Openeye Name: 1,1-dioxo-2-[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethyl]-1,2-benzothiazol-3-one CAS Name: 1,1-dioxo-2-[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]ethyl]-1,2-benzothiazol-3-one IUPAC Name: 1,1-dioxo-2-[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethyl]-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-2-[2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]ethyl]-1,2-benzothiazol-3-one Formula: C16H17N3O4S2 MolecularWeight: 379.45388

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCCN2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCCN2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C16H17N3O4S2/c1-2-5-11-10-14(20)18-16(17-11)24-9-8-19-15(21)12-6-3-4-7-13(12)25(19,22)23/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,17,18,20)