N-(3-butoxyphenyl)-2-[(3-cyano-7,7-dimethyl-5-oxidanylidene-4-thiophen-2-yl-1,4,6,8-tetrahydroquinolin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-butoxyphenyl)-2-[(3-cyano-7,7-dimethyl-5-oxidanylidene-4-thiophen-2-yl-1,4,6,8-tetrahydroquinolin-2-yl)sulfanyl]ethanamide Openeye Name: N-(3-butoxyphenyl)-2-[[3-cyano-7,7-dimethyl-5-oxo-4-(2-thienyl)-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]acetamide CAS Name: N-(3-butoxyphenyl)-2-[(3-cyano-7,7-dimethyl-5-oxo-4-thiophen-2-yl-1,4,6,8-tetrahydroquinolin-2-yl)thio]acetamide IUPAC Name: N-(3-butoxyphenyl)-2-[(3-cyano-7,7-dimethyl-5-oxo-4-thiophen-2-yl-1,4,6,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide Traditional Name: N-(3-butoxyphenyl)-2-[[3-cyano-5-keto-7,7-dimethyl-4-(2-thienyl)-1,4,6,8-tetrahydroquinolin-2-yl]thio]acetamide Formula: C28H31N3O3S2 MolecularWeight: 521.69404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)NC(=O)CSC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C4=CC=CS4)C#N

Isomeric SMILES

CCCCOC1=CC=CC(=C1)NC(=O)CSC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C4=CC=CS4)C#N

InChI

InChI=1S/C28H31N3O3S2/c1-4-5-11-34-19-9-6-8-18(13-19)30-24(33)17-36-27-20(16-29)25(23-10-7-12-35-23)26-21(31-27)14-28(2,3)15-22(26)32/h6-10,12-13,25,31H,4-5,11,14-15,17H2,1-3H3,(H,30,33)