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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[2-oxidanylidene-1-(pyrrolidin-1-ylmethyl)indol-3-ylidene]amino]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[2-oxo-1-(pyrrolidin-1-ylmethyl)indolin-3-ylidene]amino]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[[2-oxo-1-(1-pyrrolidinylmethyl)-3-indolylidene]amino]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[2-oxo-1-(pyrrolidin-1-ylmethyl)indol-3-ylidene]amino]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-[[2-keto-1-(pyrrolidinomethyl)indolin-3-ylidene]amino]acetamide Formula: C22H21N5O2S2 MolecularWeight: 451.56444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CN2C3=CC=CC=C3C(=NNC(=O)CSC4=NC5=CC=CC=C5S4)C2=O

Isomeric SMILES

C1CCN(C1)CN2C3=CC=CC=C3C(=NNC(=O)CSC4=NC5=CC=CC=C5S4)C2=O

InChI

InChI=1S/C22H21N5O2S2/c28-19(13-30-22-23-16-8-2-4-10-18(16)31-22)24-25-20-15-7-1-3-9-17(15)27(21(20)29)14-26-11-5-6-12-26/h1-4,7-10H,5-6,11-14H2,(H,24,28)