2-[2-[(6-bromanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethyl]sulfanyl-N-cyclohexyl-ethanamide

Systemtic Name: 2-[2-[(6-bromanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethyl]sulfanyl-N-cyclohexyl-ethanamide Openeye Name: 2-[2-[(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxo-ethyl]sulfanyl-N-cyclohexyl-acetamide CAS Name: 2-[[2-[(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[2-[(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanyl-N-cyclohexylacetamide Traditional Name: 2-[[2-[(6-bromo-3-propargyl-1,3-benzothiazol-2-ylidene)amino]-2-keto-ethyl]thio]-N-cyclohexyl-acetamide Formula: C20H22BrN3O2S2 MolecularWeight: 480.44158

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CSCC(=O)NC3CCCCC3

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CSCC(=O)NC3CCCCC3

InChI

InChI=1S/C20H22BrN3O2S2/c1-2-10-24-16-9-8-14(21)11-17(16)28-20(24)23-19(26)13-27-12-18(25)22-15-6-4-3-5-7-15/h1,8-9,11,15H,3-7,10,12-13H2,(H,22,25)