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

Systemtic Name: 4-[2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]benzamide Openeye Name: 4-[2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]benzamide CAS Name: 4-[[2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]benzamide Traditional Name: 4-[2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]propanoylamino]benzamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(C(=N2)SC(C)C(=O)NC3=CC=C(C=C3)C(=O)N)C#N

Isomeric SMILES

CC1CCC2=C(C1)C=C(C(=N2)SC(C)C(=O)NC3=CC=C(C=C3)C(=O)N)C#N

InChI

InChI=1S/C21H22N4O2S/c1-12-3-8-18-15(9-12)10-16(11-22)21(25-18)28-13(2)20(27)24-17-6-4-14(5-7-17)19(23)26/h4-7,10,12-13H,3,8-9H2,1-2H3,(H2,23,26)(H,24,27)