N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide

Systemtic Name: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide Openeye Name: N-[2-(p-tolylmethylsulfanyl)ethyl]-3-(3-pyridylsulfonylamino)propanamide CAS Name: N-[2-[(4-methylphenyl)methylthio]ethyl]-3-(3-pyridinylsulfonylamino)propanamide IUPAC Name: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide Traditional Name: N-[2-[(4-methylbenzyl)thio]ethyl]-3-(3-pyridylsulfonylamino)propionamide Formula: C18H23N3O3S2 MolecularWeight: 393.52352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCNC(=O)CCNS(=O)(=O)C2=CN=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)CSCCNC(=O)CCNS(=O)(=O)C2=CN=CC=C2

InChI

InChI=1S/C18H23N3O3S2/c1-15-4-6-16(7-5-15)14-25-12-11-20-18(22)8-10-21-26(23,24)17-3-2-9-19-13-17/h2-7,9,13,21H,8,10-12,14H2,1H3,(H,20,22)