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

Systemtic Name: 2-[[6-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-1,3-benzothiazol-2-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[6-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-1,3-benzothiazol-2-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[6-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-1,3-benzothiazol-2-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[6-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-1,3-benzothiazol-2-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[6-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]-1,3-benzothiazol-2-yl]thio]-N-phenethyl-acetamide Formula: C24H20BrN3O2S2 MolecularWeight: 526.4685

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20BrN3O2S2/c25-18-6-9-21(29)17(12-18)14-27-19-7-8-20-22(13-19)32-24(28-20)31-15-23(30)26-11-10-16-4-2-1-3-5-16/h1-9,12-14,27H,10-11,15H2,(H,26,30)