2-chloranyl-N-[4-methylsulfanyl-1-oxidanylidene-1-[2-(pyrazin-2-ylamino)ethylamino]butan-2-yl]benzamide

Systemtic Name: 2-chloranyl-N-[4-methylsulfanyl-1-oxidanylidene-1-[2-(pyrazin-2-ylamino)ethylamino]butan-2-yl]benzamide Openeye Name: 2-chloro-N-[3-methylsulfanyl-1-[2-(pyrazin-2-ylamino)ethylcarbamoyl]propyl]benzamide CAS Name: 2-chloro-N-[4-(methylthio)-1-oxo-1-[2-(2-pyrazinylamino)ethylamino]butan-2-yl]benzamide IUPAC Name: 2-chloro-N-[4-methylsulfanyl-1-oxo-1-[2-(pyrazin-2-ylamino)ethylamino]butan-2-yl]benzamide Traditional Name: 2-chloro-N-[3-(methylthio)-1-[2-(pyrazin-2-ylamino)ethylcarbamoyl]propyl]benzamide Formula: C18H22ClN5O2S MolecularWeight: 407.91758

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCCNC1=NC=CN=C1)NC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CSCCC(C(=O)NCCNC1=NC=CN=C1)NC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C18H22ClN5O2S/c1-27-11-6-15(24-17(25)13-4-2-3-5-14(13)19)18(26)23-10-9-22-16-12-20-7-8-21-16/h2-5,7-8,12,15H,6,9-11H2,1H3,(H,21,22)(H,23,26)(H,24,25)