[(6-bromanyl-2-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl)methylsulfanyl-[(4-chlorophenyl)amino]methylidene]-(phenylcarbonyl)azanium

Systemtic Name: [(6-bromanyl-2-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl)methylsulfanyl-[(4-chlorophenyl)amino]methylidene]-(phenylcarbonyl)azanium Openeye Name: benzoyl-[(6-bromo-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl)methylsulfanyl-(4-chloroanilino)methylene]ammonium CAS Name: benzoyl-[[(6-bromo-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl)methylthio]-(4-chloroanilino)methylidene]ammonium IUPAC Name: benzoyl-[(6-bromo-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl)methylsulfanyl-(4-chloroanilino)methylidene]azanium Traditional Name: benzoyl-[[(6-bromo-2-keto-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl)methylthio]-(4-chloroanilino)methylene]ammonium Formula: C22H22BrClN3O3S+ MolecularWeight: 523.85038

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(CC1Br)OC(=O)N2CSC(=[NH+]C(=O)C3=CC=CC=C3)NC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC2C(CC1Br)OC(=O)N2CSC(=[NH+]C(=O)C3=CC=CC=C3)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H21BrClN3O3S/c23-15-6-11-18-19(12-15)30-22(29)27(18)13-31-21(25-17-9-7-16(24)8-10-17)26-20(28)14-4-2-1-3-5-14/h1-5,7-10,15,18-19H,6,11-13H2,(H,25,26,28)/p+1