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

Systemtic Name: 2-[[6-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-1,3-benzothiazol-2-yl]sulfanyl]-N-cyclohexyl-ethanamide Openeye Name: 2-[[6-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-1,3-benzothiazol-2-yl]sulfanyl]-N-cyclohexyl-acetamide CAS Name: 2-[[6-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-1,3-benzothiazol-2-yl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[[6-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-1,3-benzothiazol-2-yl]sulfanyl]-N-cyclohexylacetamide Traditional Name: 2-[[6-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]-1,3-benzothiazol-2-yl]thio]-N-cyclohexyl-acetamide Formula: C22H22BrN3O2S2 MolecularWeight: 504.46298

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC=C4C=C(C=CC4=O)Br

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC=C4C=C(C=CC4=O)Br

InChI

InChI=1S/C22H22BrN3O2S2/c23-15-6-9-19(27)14(10-15)12-24-17-7-8-18-20(11-17)30-22(26-18)29-13-21(28)25-16-4-2-1-3-5-16/h6-12,16,24H,1-5,13H2,(H,25,28)