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

Systemtic Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-benzyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-(phenylmethyl)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-benzyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-benzyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-4-pyrrolidinosulfonyl-benzamide Formula: C26H25N3O3S3 MolecularWeight: 523.69

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C26H25N3O3S3/c1-33-21-11-14-23-24(17-21)34-26(27-23)29(18-19-7-3-2-4-8-19)25(30)20-9-12-22(13-10-20)35(31,32)28-15-5-6-16-28/h2-4,7-14,17H,5-6,15-16,18H2,1H3