2-(2-methylpropanoylamino)-4-methylsulfanyl-N-quinolin-3-yl-butanamide

Systemtic Name: 2-(2-methylpropanoylamino)-4-methylsulfanyl-N-quinolin-3-yl-butanamide Openeye Name: 2-(2-methylpropanoylamino)-4-methylsulfanyl-N-(3-quinolyl)butanamide CAS Name: 2-[(2-methyl-1-oxopropyl)amino]-4-(methylthio)-N-(3-quinolinyl)butanamide IUPAC Name: 2-(2-methylpropanoylamino)-4-methylsulfanyl-N-quinolin-3-ylbutanamide Traditional Name: 2-(isobutyrylamino)-4-(methylthio)-N-(3-quinolyl)butyramide Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(CCSC)C(=O)NC1=CC2=CC=CC=C2N=C1

Isomeric SMILES

CC(C)C(=O)NC(CCSC)C(=O)NC1=CC2=CC=CC=C2N=C1

InChI

InChI=1S/C18H23N3O2S/c1-12(2)17(22)21-16(8-9-24-3)18(23)20-14-10-13-6-4-5-7-15(13)19-11-14/h4-7,10-12,16H,8-9H2,1-3H3,(H,20,23)(H,21,22)