2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[5-bromanyl-2-oxidanylidene-1-(pyrrolidin-1-ylmethyl)indol-3-ylidene]amino]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[5-bromanyl-2-oxidanylidene-1-(pyrrolidin-1-ylmethyl)indol-3-ylidene]amino]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[5-bromo-2-oxo-1-(pyrrolidin-1-ylmethyl)indolin-3-ylidene]amino]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[[5-bromo-2-oxo-1-(1-pyrrolidinylmethyl)-3-indolylidene]amino]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[5-bromo-2-oxo-1-(pyrrolidin-1-ylmethyl)indol-3-ylidene]amino]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-[[5-bromo-2-keto-1-(pyrrolidinomethyl)indolin-3-ylidene]amino]acetamide Formula: C22H20BrN5O2S2 MolecularWeight: 530.4605

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CN2C3=C(C=C(C=C3)Br)C(=NNC(=O)CSC4=NC5=CC=CC=C5S4)C2=O

Isomeric SMILES

C1CCN(C1)CN2C3=C(C=C(C=C3)Br)C(=NNC(=O)CSC4=NC5=CC=CC=C5S4)C2=O

InChI

InChI=1S/C22H20BrN5O2S2/c23-14-7-8-17-15(11-14)20(21(30)28(17)13-27-9-3-4-10-27)26-25-19(29)12-31-22-24-16-5-1-2-6-18(16)32-22/h1-2,5-8,11H,3-4,9-10,12-13H2,(H,25,29)