2-chloranyl-N-[4-methylsulfanyl-1-oxidanylidene-1-[[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]amino]butan-2-yl]benzamide

Systemtic Name: 2-chloranyl-N-[4-methylsulfanyl-1-oxidanylidene-1-[[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]amino]butan-2-yl]benzamide Openeye Name: 2-chloro-N-[3-methylsulfanyl-1-[[6-(3-oxopiperazin-1-yl)-3-pyridyl]carbamoyl]propyl]benzamide CAS Name: 2-chloro-N-[4-(methylthio)-1-oxo-1-[[6-(3-oxo-1-piperazinyl)-3-pyridinyl]amino]butan-2-yl]benzamide IUPAC Name: 2-chloro-N-[4-methylsulfanyl-1-oxo-1-[[6-(3-oxopiperazin-1-yl)pyridin-3-yl]amino]butan-2-yl]benzamide Traditional Name: 2-chloro-N-[1-[[6-(3-ketopiperazino)-3-pyridyl]carbamoyl]-3-(methylthio)propyl]benzamide Formula: C21H24ClN5O3S MolecularWeight: 461.96496

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CN=C(C=C1)N2CCNC(=O)C2)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CSCCC(C(=O)NC1=CN=C(C=C1)N2CCNC(=O)C2)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H24ClN5O3S/c1-31-11-8-17(26-20(29)15-4-2-3-5-16(15)22)21(30)25-14-6-7-18(24-12-14)27-10-9-23-19(28)13-27/h2-7,12,17H,8-11,13H2,1H3,(H,23,28)(H,25,30)(H,26,29)