2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(5-pyrrolidin-1-ylsulfonyl-2-thienyl)methyl]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]methyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-[(5-pyrrolidinosulfonyl-2-thienyl)methyl]acetamide Formula: C18H19N3O3S4 MolecularWeight: 453.62176

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(S2)CNC(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(S2)CNC(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H19N3O3S4/c22-16(12-25-18-20-14-5-1-2-6-15(14)27-18)19-11-13-7-8-17(26-13)28(23,24)21-9-3-4-10-21/h1-2,5-8H,3-4,9-12H2,(H,19,22)