4-bromanyl-6-[[[2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]amino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 4-bromanyl-6-[[[2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 4-bromo-6-[[[2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 4-bromo-6-[[[2-[(4-tert-butylphenyl)methylthio]-1,3-benzothiazol-6-yl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 4-bromo-6-[[[2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 4-bromo-6-[[[2-[(4-tert-butylbenzyl)thio]-1,3-benzothiazol-6-yl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C25H23BrN2OS2 MolecularWeight: 511.49692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)NC=C4C=C(C=CC4=O)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)NC=C4C=C(C=CC4=O)Br

InChI

InChI=1S/C25H23BrN2OS2/c1-25(2,3)18-6-4-16(5-7-18)15-30-24-28-21-10-9-20(13-23(21)31-24)27-14-17-12-19(26)8-11-22(17)29/h4-14,27H,15H2,1-3H3