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

Systemtic Name: N-(4-acetamidophenyl)-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide Openeye Name: N-(4-acetamidophenyl)-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide CAS Name: N-(4-acetamidophenyl)-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]propanamide IUPAC Name: N-(4-acetamidophenyl)-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide Traditional Name: N-(4-acetamidophenyl)-2-[(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(C(=O)NC1=CC=C(C=C1)NC(=O)C)SC2=NC3=C(CCCC3)C=C2C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2S/c1-13(20(27)24-18-9-7-17(8-10-18)23-14(2)26)28-21-16(12-22)11-15-5-3-4-6-19(15)25-21/h7-11,13H,3-6H2,1-2H3,(H,23,26)(H,24,27)