4-[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]benzamide

Systemtic Name: 4-[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]benzamide Openeye Name: 4-[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]benzamide CAS Name: 4-[[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]benzamide Traditional Name: 4-[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]propanoylamino]benzamide Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NC3=C(CCCC3)C=C2C#N

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NC3=C(CCCC3)C=C2C#N

InChI

InChI=1S/C20H20N4O2S/c1-12(19(26)23-16-8-6-13(7-9-16)18(22)25)27-20-15(11-21)10-14-4-2-3-5-17(14)24-20/h6-10,12H,2-5H2,1H3,(H2,22,25)(H,23,26)