3-chloranyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-1-benzothiophene-2-carboxamide Openeye Name: N-benzyl-3-chloro-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)benzothiophene-2-carboxamide CAS Name: 3-chloro-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-1-benzothiophene-2-carboxamide IUPAC Name: N-benzyl-3-chloro-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide Traditional Name: N-benzyl-3-chloro-N-(4-mesyl-1,3-benzothiazol-2-yl)benzothiophene-2-carboxamide Formula: C24H17ClN2O3S3 MolecularWeight: 513.05138

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC2=C1N=C(S2)N(CC3=CC=CC=C3)C(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=CC2=C1N=C(S2)N(CC3=CC=CC=C3)C(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C24H17ClN2O3S3/c1-33(29,30)19-13-7-12-18-21(19)26-24(32-18)27(14-15-8-3-2-4-9-15)23(28)22-20(25)16-10-5-6-11-17(16)31-22/h2-13H,14H2,1H3