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

Systemtic Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-benzyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[4-(methylthio)-1,3-benzothiazol-2-yl]-N-(phenylmethyl)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-benzyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-benzyl-N-[4-(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=CC=CC2=C1N=C(S2)N(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CSC1=CC=CC2=C1N=C(S2)N(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

InChI

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