N-(2-diethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(2-diethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(2-diethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(2-diethylaminoethyl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(2-diethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(2-diethylaminoethyl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-4-pyrrolidinosulfonyl-benzamide Formula: C25H32N4O3S3 MolecularWeight: 532.74158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)SC)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)SC)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C25H32N4O3S3/c1-4-27(5-2)16-17-29(25-26-22-13-10-20(33-3)18-23(22)34-25)24(30)19-8-11-21(12-9-19)35(31,32)28-14-6-7-15-28/h8-13,18H,4-7,14-17H2,1-3H3