2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[2-(pyrazin-2-ylamino)ethyl]butanamide

Systemtic Name: 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[2-(pyrazin-2-ylamino)ethyl]butanamide Openeye Name: 4-methylsulfanyl-2-(p-tolylsulfonylamino)-N-[2-(pyrazin-2-ylamino)ethyl]butanamide CAS Name: 2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)-N-[2-(2-pyrazinylamino)ethyl]butanamide IUPAC Name: 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[2-(pyrazin-2-ylamino)ethyl]butanamide Traditional Name: 4-(methylthio)-N-[2-(pyrazin-2-ylamino)ethyl]-2-(tosylamino)butyramide Formula: C18H25N5O3S2 MolecularWeight: 423.5528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NCCNC2=NC=CN=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NCCNC2=NC=CN=C2

InChI

InChI=1S/C18H25N5O3S2/c1-14-3-5-15(6-4-14)28(25,26)23-16(7-12-27-2)18(24)22-11-10-21-17-13-19-8-9-20-17/h3-6,8-9,13,16,23H,7,10-12H2,1-2H3,(H,20,21)(H,22,24)