2-(6-chloranyl-3-oxidanidyl-4-phenyl-quinazolin-3-ium-2-yl)-N,N-bis(propan-2-ylsulfanyl)ethanethioamide

Systemtic Name: 2-(6-chloranyl-3-oxidanidyl-4-phenyl-quinazolin-3-ium-2-yl)-N,N-bis(propan-2-ylsulfanyl)ethanethioamide Openeye Name: 2-(6-chloro-3-oxido-4-phenyl-quinazolin-3-ium-2-yl)-N,N-bis(isopropylsulfanyl)thioacetamide CAS Name: 2-(6-chloro-3-oxido-4-phenyl-2-quinazolin-3-iumyl)-N,N-bis(propan-2-ylthio)ethanethioamide IUPAC Name: 2-(6-chloro-3-oxido-4-phenylquinazolin-3-ium-2-yl)-N,N-bis(propan-2-ylsulfanyl)ethanethioamide Traditional Name: 2-(6-chloro-3-oxido-4-phenyl-quinazolin-3-ium-2-yl)-N,N-bis(isopropylthio)thioacetamide Formula: C22H24ClN3OS3 MolecularWeight: 478.09346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SN(C(=S)CC1=NC2=C(C=C(C=C2)Cl)C(=[N+]1[O-])C3=CC=CC=C3)SC(C)C

Isomeric SMILES

CC(C)SN(C(=S)CC1=NC2=C(C=C(C=C2)Cl)C(=[N+]1[O-])C3=CC=CC=C3)SC(C)C

InChI

InChI=1S/C22H24ClN3OS3/c1-14(2)29-26(30-15(3)4)21(28)13-20-24-19-11-10-17(23)12-18(19)22(25(20)27)16-8-6-5-7-9-16/h5-12,14-15H,13H2,1-4H3