N-[4-[2-(3-ethyl-7-methyl-quinolin-2-yl)sulfanylethanoylamino]phenyl]propanamide

Systemtic Name: N-[4-[2-(3-ethyl-7-methyl-quinolin-2-yl)sulfanylethanoylamino]phenyl]propanamide Openeye Name: N-[4-[[2-[(3-ethyl-7-methyl-2-quinolyl)sulfanyl]acetyl]amino]phenyl]propanamide CAS Name: N-[4-[[2-[(3-ethyl-7-methyl-2-quinolinyl)thio]-1-oxoethyl]amino]phenyl]propanamide IUPAC Name: N-[4-[[2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetyl]amino]phenyl]propanamide Traditional Name: N-[4-[[2-[(3-ethyl-7-methyl-2-quinolyl)thio]acetyl]amino]phenyl]propionamide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C2C=C(C=CC2=C1)C)SCC(=O)NC3=CC=C(C=C3)NC(=O)CC

Isomeric SMILES

CCC1=C(N=C2C=C(C=CC2=C1)C)SCC(=O)NC3=CC=C(C=C3)NC(=O)CC

InChI

InChI=1S/C23H25N3O2S/c1-4-16-13-17-7-6-15(3)12-20(17)26-23(16)29-14-22(28)25-19-10-8-18(9-11-19)24-21(27)5-2/h6-13H,4-5,14H2,1-3H3,(H,24,27)(H,25,28)