2-[[6-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-1,3-benzothiazol-2-yl]sulfanyl]-N-butyl-ethanamide

Systemtic Name: 2-[[6-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-1,3-benzothiazol-2-yl]sulfanyl]-N-butyl-ethanamide Openeye Name: 2-[[6-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-1,3-benzothiazol-2-yl]sulfanyl]-N-butyl-acetamide CAS Name: 2-[[6-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-1,3-benzothiazol-2-yl]thio]-N-butylacetamide IUPAC Name: 2-[[6-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-1,3-benzothiazol-2-yl]sulfanyl]-N-butylacetamide Traditional Name: 2-[[6-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]-1,3-benzothiazol-2-yl]thio]-N-butyl-acetamide Formula: C20H20BrN3O2S2 MolecularWeight: 478.4257

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC=C3C=C(C=CC3=O)Br

Isomeric SMILES

CCCCNC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC=C3C=C(C=CC3=O)Br

InChI

InChI=1S/C20H20BrN3O2S2/c1-2-3-8-22-19(26)12-27-20-24-16-6-5-15(10-18(16)28-20)23-11-13-9-14(21)4-7-17(13)25/h4-7,9-11,23H,2-3,8,12H2,1H3,(H,22,26)