2-(phenylmethylsulfanyl)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(phenylmethylsulfanyl)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-benzylsulfanyl-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(phenylmethylthio)-N-[6-(1-pyrrolidinylsulfonyl)-1,3-benzothiazol-2-yl]acetamide IUPAC Name: 2-benzylsulfanyl-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(benzylthio)-N-(6-pyrrolidinosulfonyl-1,3-benzothiazol-2-yl)acetamide Formula: C20H21N3O3S3 MolecularWeight: 447.59404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)CSCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)CSCC4=CC=CC=C4

InChI

InChI=1S/C20H21N3O3S3/c24-19(14-27-13-15-6-2-1-3-7-15)22-20-21-17-9-8-16(12-18(17)28-20)29(25,26)23-10-4-5-11-23/h1-3,6-9,12H,4-5,10-11,13-14H2,(H,21,22,24)