1,1-bis(oxidanylidene)-2-[2-(1-phenylbenzimidazol-2-yl)sulfanylethyl]-1,2-benzothiazol-3-one

Systemtic Name: 1,1-bis(oxidanylidene)-2-[2-(1-phenylbenzimidazol-2-yl)sulfanylethyl]-1,2-benzothiazol-3-one Openeye Name: 1,1-dioxo-2-[2-(1-phenylbenzimidazol-2-yl)sulfanylethyl]-1,2-benzothiazol-3-one CAS Name: 1,1-dioxo-2-[2-[(1-phenyl-2-benzimidazolyl)thio]ethyl]-1,2-benzothiazol-3-one IUPAC Name: 1,1-dioxo-2-[2-(1-phenylbenzimidazol-2-yl)sulfanylethyl]-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-2-[2-[(1-phenylbenzimidazol-2-yl)thio]ethyl]-1,2-benzothiazol-3-one Formula: C22H17N3O3S2 MolecularWeight: 435.51868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCCN4C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCCN4C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C22H17N3O3S2/c26-21-17-10-4-7-13-20(17)30(27,28)24(21)14-15-29-22-23-18-11-5-6-12-19(18)25(22)16-8-2-1-3-9-16/h1-13H,14-15H2