N-[3-cyano-5-[(2,4-dichlorophenyl)methyl-propan-2-yl-amino]-4-methyl-thiophen-2-yl]-2-ethyl-butanamide

Systemtic Name: N-[3-cyano-5-[(2,4-dichlorophenyl)methyl-propan-2-yl-amino]-4-methyl-thiophen-2-yl]-2-ethyl-butanamide Openeye Name: N-[3-cyano-5-[(2,4-dichlorophenyl)methyl-isopropyl-amino]-4-methyl-2-thienyl]-2-ethyl-butanamide CAS Name: N-[3-cyano-5-[(2,4-dichlorophenyl)methyl-propan-2-ylamino]-4-methyl-2-thiophenyl]-2-ethylbutanamide IUPAC Name: N-[3-cyano-5-[(2,4-dichlorophenyl)methyl-propan-2-ylamino]-4-methylthiophen-2-yl]-2-ethylbutanamide Traditional Name: N-[3-cyano-5-[(2,4-dichlorobenzyl)-isopropyl-amino]-4-methyl-2-thienyl]-2-ethyl-butyramide Formula: C22H27Cl2N3OS MolecularWeight: 452.44028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27Cl2N3OS/c1-6-15(7-2)20(28)26-21-18(11-25)14(5)22(29-21)27(13(3)4)12-16-8-9-17(23)10-19(16)24/h8-10,13,15H,6-7,12H2,1-5H3,(H,26,28)