3-methyl-N-[4-methylsulfanyl-1-oxidanylidene-1-[(6-pyrrolidin-1-ylpyridin-3-yl)amino]butan-2-yl]benzamide

Systemtic Name: 3-methyl-N-[4-methylsulfanyl-1-oxidanylidene-1-[(6-pyrrolidin-1-ylpyridin-3-yl)amino]butan-2-yl]benzamide Openeye Name: 3-methyl-N-[3-methylsulfanyl-1-[(6-pyrrolidin-1-yl-3-pyridyl)carbamoyl]propyl]benzamide CAS Name: 3-methyl-N-[4-(methylthio)-1-oxo-1-[[6-(1-pyrrolidinyl)-3-pyridinyl]amino]butan-2-yl]benzamide IUPAC Name: 3-methyl-N-[4-methylsulfanyl-1-oxo-1-[(6-pyrrolidin-1-ylpyridin-3-yl)amino]butan-2-yl]benzamide Traditional Name: 3-methyl-N-[3-(methylthio)-1-[(6-pyrrolidino-3-pyridyl)carbamoyl]propyl]benzamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)NC2=CN=C(C=C2)N3CCCC3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)NC2=CN=C(C=C2)N3CCCC3

InChI

InChI=1S/C22H28N4O2S/c1-16-6-5-7-17(14-16)21(27)25-19(10-13-29-2)22(28)24-18-8-9-20(23-15-18)26-11-3-4-12-26/h5-9,14-15,19H,3-4,10-13H2,1-2H3,(H,24,28)(H,25,27)