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

Systemtic Name: 4-bromanyl-6-[[[2-[(4-iodophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 4-bromo-6-[[[2-[(4-iodophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 4-bromo-6-[[[2-[(4-iodophenyl)methylthio]-1,3-benzothiazol-6-yl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 4-bromo-6-[[[2-[(4-iodophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 4-bromo-6-[[[2-[(4-iodobenzyl)thio]-1,3-benzothiazol-6-yl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C21H14BrIN2OS2 MolecularWeight: 581.28713

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC3=C(S2)C=C(C=C3)NC=C4C=C(C=CC4=O)Br)I

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC3=C(S2)C=C(C=C3)NC=C4C=C(C=CC4=O)Br)I

InChI

InChI=1S/C21H14BrIN2OS2/c22-15-3-8-19(26)14(9-15)11-24-17-6-7-18-20(10-17)28-21(25-18)27-12-13-1-4-16(23)5-2-13/h1-11,24H,12H2