3-[2-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]sulfanyl-1,3-thiazol-4-yl]chromen-2-one

Systemtic Name: 3-[2-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]sulfanyl-1,3-thiazol-4-yl]chromen-2-one Openeye Name: 3-[2-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]sulfanylthiazol-4-yl]chromen-2-one CAS Name: 3-[2-[[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]thio]-4-thiazolyl]-1-benzopyran-2-one IUPAC Name: 3-[2-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]sulfanyl-1,3-thiazol-4-yl]chromen-2-one Traditional Name: 3-[2-[[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]thio]thiazol-4-yl]coumarin Formula: C23H21N4O3S2+ MolecularWeight: 465.56784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=NC(=CS3)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=NC(=CS3)C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C23H20N4O3S2/c28-21(27-11-9-26(10-12-27)20-7-3-4-8-24-20)15-32-23-25-18(14-31-23)17-13-16-5-1-2-6-19(16)30-22(17)29/h1-8,13-14H,9-12,15H2/p+1