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

Systemtic Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-[2-(4-morpholinyl)ethyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-(2-morpholinoethyl)-4-pyrrolidinosulfonyl-benzamide Formula: C25H30N4O4S3 MolecularWeight: 546.7251

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=C(S2)N(CCN3CCOCC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)N(CCN3CCOCC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C25H30N4O4S3/c1-34-20-6-9-22-23(18-20)35-25(26-22)29(13-12-27-14-16-33-17-15-27)24(30)19-4-7-21(8-5-19)36(31,32)28-10-2-3-11-28/h4-9,18H,2-3,10-17H2,1H3