N,N-bis(ethylsulfanyl)-2-(4-methyl-3-oxidanidyl-quinazolin-3-ium-2-yl)ethanethioamide

Systemtic Name: N,N-bis(ethylsulfanyl)-2-(4-methyl-3-oxidanidyl-quinazolin-3-ium-2-yl)ethanethioamide Openeye Name: N,N-bis(ethylsulfanyl)-2-(4-methyl-3-oxido-quinazolin-3-ium-2-yl)thioacetamide CAS Name: N,N-bis(ethylthio)-2-(4-methyl-3-oxido-2-quinazolin-3-iumyl)ethanethioamide IUPAC Name: N,N-bis(ethylsulfanyl)-2-(4-methyl-3-oxidoquinazolin-3-ium-2-yl)ethanethioamide Traditional Name: N,N-bis(ethylthio)-2-(4-methyl-3-oxido-quinazolin-3-ium-2-yl)thioacetamide Formula: C15H19N3OS3 MolecularWeight: 353.52586

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Descriptors Computed from Structure

Canonical SMILES:

CCSN(C(=S)CC1=NC2=CC=CC=C2C(=[N+]1[O-])C)SCC

Isomeric SMILES

CCSN(C(=S)CC1=NC2=CC=CC=C2C(=[N+]1[O-])C)SCC

InChI

InChI=1S/C15H19N3OS3/c1-4-21-18(22-5-2)15(20)10-14-16-13-9-7-6-8-12(13)11(3)17(14)19/h6-9H,4-5,10H2,1-3H3