N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-4-(thiophen-2-ylsulfonylamino)benzamide

Systemtic Name: N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-4-(thiophen-2-ylsulfonylamino)benzamide Openeye Name: N-[2-(m-tolylmethylsulfanyl)ethyl]-4-(2-thienylsulfonylamino)benzamide CAS Name: N-[2-[(3-methylphenyl)methylthio]ethyl]-4-(thiophen-2-ylsulfonylamino)benzamide IUPAC Name: N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-4-(thiophen-2-ylsulfonylamino)benzamide Traditional Name: N-[2-[(3-methylbenzyl)thio]ethyl]-4-(2-thienylsulfonylamino)benzamide Formula: C21H22N2O3S3 MolecularWeight: 446.60598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCCNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC(=CC=C1)CSCCNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H22N2O3S3/c1-16-4-2-5-17(14-16)15-27-13-11-22-21(24)18-7-9-19(10-8-18)23-29(25,26)20-6-3-12-28-20/h2-10,12,14,23H,11,13,15H2,1H3,(H,22,24)