5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-N-(2-phenylsulfanylphenyl)-1-benzothiophene-2-carboxamide

Systemtic Name: 5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-N-(2-phenylsulfanylphenyl)-1-benzothiophene-2-carboxamide Openeye Name: 5-[methylsulfonyl(p-tolylmethyl)amino]-N-(2-phenylsulfanylphenyl)benzothiophene-2-carboxamide CAS Name: 5-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[2-(phenylthio)phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 5-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(2-phenylsulfanylphenyl)-1-benzothiophene-2-carboxamide Traditional Name: 5-[mesyl-(4-methylbenzyl)amino]-N-[2-(phenylthio)phenyl]benzothiophene-2-carboxamide Formula: C30H26N2O3S3 MolecularWeight: 558.73404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C2=CC3=C(C=C2)SC(=C3)C(=O)NC4=CC=CC=C4SC5=CC=CC=C5)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN(C2=CC3=C(C=C2)SC(=C3)C(=O)NC4=CC=CC=C4SC5=CC=CC=C5)S(=O)(=O)C

InChI

InChI=1S/C30H26N2O3S3/c1-21-12-14-22(15-13-21)20-32(38(2,34)35)24-16-17-27-23(18-24)19-29(37-27)30(33)31-26-10-6-7-11-28(26)36-25-8-4-3-5-9-25/h3-19H,20H2,1-2H3,(H,31,33)