2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanyl-N-quinolin-5-yl-benzamide

Systemtic Name: 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanyl-N-quinolin-5-yl-benzamide Openeye Name: 2-[2-(isopropylamino)-2-oxo-ethyl]sulfanyl-N-(5-quinolyl)benzamide CAS Name: 2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]-N-(5-quinolinyl)benzamide IUPAC Name: 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-N-quinolin-5-ylbenzamide Traditional Name: 2-[[2-(isopropylamino)-2-keto-ethyl]thio]-N-(5-quinolyl)benzamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)NC2=CC=CC3=C2C=CC=N3

Isomeric SMILES

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)NC2=CC=CC3=C2C=CC=N3

InChI

InChI=1S/C21H21N3O2S/c1-14(2)23-20(25)13-27-19-11-4-3-7-16(19)21(26)24-18-10-5-9-17-15(18)8-6-12-22-17/h3-12,14H,13H2,1-2H3,(H,23,25)(H,24,26)