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

Systemtic Name: N-(4-bromophenyl)-3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide Openeye Name: N-(4-bromophenyl)-3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide CAS Name: N-(4-bromophenyl)-3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]propanamide IUPAC Name: N-(4-bromophenyl)-3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide Traditional Name: N-(4-bromophenyl)-3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]propionamide Formula: C20H20BrN3OS MolecularWeight: 430.3613

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN3OS/c1-13-2-7-18-14(10-13)11-15(12-22)20(24-18)26-9-8-19(25)23-17-5-3-16(21)4-6-17/h3-6,11,13H,2,7-10H2,1H3,(H,23,25)