2-bromanyl-N-[4-methylsulfanyl-1-oxidanylidene-1-[(2-pyrrolidin-1-ylpyridin-4-yl)methylamino]butan-2-yl]benzamide

Systemtic Name: 2-bromanyl-N-[4-methylsulfanyl-1-oxidanylidene-1-[(2-pyrrolidin-1-ylpyridin-4-yl)methylamino]butan-2-yl]benzamide Openeye Name: 2-bromo-N-[3-methylsulfanyl-1-[(2-pyrrolidin-1-yl-4-pyridyl)methylcarbamoyl]propyl]benzamide CAS Name: 2-bromo-N-[4-(methylthio)-1-oxo-1-[[2-(1-pyrrolidinyl)-4-pyridinyl]methylamino]butan-2-yl]benzamide IUPAC Name: 2-bromo-N-[4-methylsulfanyl-1-oxo-1-[(2-pyrrolidin-1-ylpyridin-4-yl)methylamino]butan-2-yl]benzamide Traditional Name: 2-bromo-N-[3-(methylthio)-1-[(2-pyrrolidino-4-pyridyl)methylcarbamoyl]propyl]benzamide Formula: C22H27BrN4O2S MolecularWeight: 491.44438

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CC(=NC=C1)N2CCCC2)NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CSCCC(C(=O)NCC1=CC(=NC=C1)N2CCCC2)NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C22H27BrN4O2S/c1-30-13-9-19(26-21(28)17-6-2-3-7-18(17)23)22(29)25-15-16-8-10-24-20(14-16)27-11-4-5-12-27/h2-3,6-8,10,14,19H,4-5,9,11-13,15H2,1H3,(H,25,29)(H,26,28)