N-[3-cyano-6-[(2,4-dichlorophenyl)methyl-(2-methylpropyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethyl-butanamide

Systemtic Name: N-[3-cyano-6-[(2,4-dichlorophenyl)methyl-(2-methylpropyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethyl-butanamide Openeye Name: N-[3-cyano-6-[(2,4-dichlorophenyl)methyl-isobutyl-amino]-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-ethyl-butanamide CAS Name: N-[3-cyano-6-[(2,4-dichlorophenyl)methyl-(2-methylpropyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethylbutanamide IUPAC Name: N-[3-cyano-6-[(2,4-dichlorophenyl)methyl-(2-methylpropyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethylbutanamide Traditional Name: N-[3-cyano-6-[(2,4-dichlorobenzyl)-isobutyl-amino]-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-ethyl-butyramide Formula: C26H33Cl2N3OS MolecularWeight: 506.53072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=C(C2=C(S1)CC(CC2)N(CC3=C(C=C(C=C3)Cl)Cl)CC(C)C)C#N

Isomeric SMILES

CCC(CC)C(=O)NC1=C(C2=C(S1)CC(CC2)N(CC3=C(C=C(C=C3)Cl)Cl)CC(C)C)C#N

InChI

InChI=1S/C26H33Cl2N3OS/c1-5-17(6-2)25(32)30-26-22(13-29)21-10-9-20(12-24(21)33-26)31(14-16(3)4)15-18-7-8-19(27)11-23(18)28/h7-8,11,16-17,20H,5-6,9-10,12,14-15H2,1-4H3,(H,30,32)