N-[4-[2-(3-methylquinolin-2-yl)sulfanylethanoylamino]phenyl]propanamide

Systemtic Name: N-[4-[2-(3-methylquinolin-2-yl)sulfanylethanoylamino]phenyl]propanamide Openeye Name: N-[4-[[2-[(3-methyl-2-quinolyl)sulfanyl]acetyl]amino]phenyl]propanamide CAS Name: N-[4-[[2-[(3-methyl-2-quinolinyl)thio]-1-oxoethyl]amino]phenyl]propanamide IUPAC Name: N-[4-[[2-(3-methylquinolin-2-yl)sulfanylacetyl]amino]phenyl]propanamide Traditional Name: N-[4-[[2-[(3-methyl-2-quinolyl)thio]acetyl]amino]phenyl]propionamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C=C2C

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C=C2C

InChI

InChI=1S/C21H21N3O2S/c1-3-19(25)22-16-8-10-17(11-9-16)23-20(26)13-27-21-14(2)12-15-6-4-5-7-18(15)24-21/h4-12H,3,13H2,1-2H3,(H,22,25)(H,23,26)