N-(4-acetamidophenyl)-3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide

Systemtic Name: N-(4-acetamidophenyl)-3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide Openeye Name: N-(4-acetamidophenyl)-3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide CAS Name: N-(4-acetamidophenyl)-3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]propanamide IUPAC Name: N-(4-acetamidophenyl)-3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide Traditional Name: N-(4-acetamidophenyl)-3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]propionamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CCSC2=NC3=C(CCCC3)C=C2C#N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)CCSC2=NC3=C(CCCC3)C=C2C#N

InChI

InChI=1S/C21H22N4O2S/c1-14(26)23-17-6-8-18(9-7-17)24-20(27)10-11-28-21-16(13-22)12-15-4-2-3-5-19(15)25-21/h6-9,12H,2-5,10-11H2,1H3,(H,23,26)(H,24,27)