N-methyl-2-[1-oxidanylidene-6-(2-pyridin-4-ylsulfanylethanoylamino)-2,9-dihydropyrido[3,4-b]indol-4-yl]ethanamide

Systemtic Name: N-methyl-2-[1-oxidanylidene-6-(2-pyridin-4-ylsulfanylethanoylamino)-2,9-dihydropyrido[3,4-b]indol-4-yl]ethanamide Openeye Name: N-methyl-2-[1-oxo-6-[[2-(4-pyridylsulfanyl)acetyl]amino]-2,9-dihydropyrido[3,4-b]indol-4-yl]acetamide CAS Name: N-methyl-2-[1-oxo-6-[[1-oxo-2-(pyridin-4-ylthio)ethyl]amino]-2,9-dihydropyrido[3,4-b]indol-4-yl]acetamide IUPAC Name: N-methyl-2-[1-oxo-6-[(2-pyridin-4-ylsulfanylacetyl)amino]-2,9-dihydropyrido[3,4-b]indol-4-yl]acetamide Traditional Name: 2-[1-keto-6-[[2-(4-pyridylthio)acetyl]amino]-2,9-dihydro-$b-carbolin-4-yl]-N-methyl-acetamide Formula: C21H19N5O3S MolecularWeight: 421.47226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CC1=CNC(=O)C2=C1C3=C(N2)C=CC(=C3)NC(=O)CSC4=CC=NC=C4

Isomeric SMILES

CNC(=O)CC1=CNC(=O)C2=C1C3=C(N2)C=CC(=C3)NC(=O)CSC4=CC=NC=C4

InChI

InChI=1S/C21H19N5O3S/c1-22-17(27)8-12-10-24-21(29)20-19(12)15-9-13(2-3-16(15)26-20)25-18(28)11-30-14-4-6-23-7-5-14/h2-7,9-10,26H,8,11H2,1H3,(H,22,27)(H,24,29)(H,25,28)