N-[(4-chlorophenyl)methyl]-2-[2-methoxyethyl(pyrimidin-2-yl)amino]-4-methyl-pentanethioamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-[2-methoxyethyl(pyrimidin-2-yl)amino]-4-methyl-pentanethioamide Openeye Name: N-[(4-chlorophenyl)methyl]-2-[2-methoxyethyl(pyrimidin-2-yl)amino]-4-methyl-pentanethioamide CAS Name: N-[(4-chlorophenyl)methyl]-2-[2-methoxyethyl(2-pyrimidinyl)amino]-4-methylpentanethioamide IUPAC Name: N-[(4-chlorophenyl)methyl]-2-[2-methoxyethyl(pyrimidin-2-yl)amino]-4-methylpentanethioamide Traditional Name: N-(4-chlorobenzyl)-2-[2-methoxyethyl(2-pyrimidyl)amino]-4-methyl-thiovaleramide Formula: C20H27ClN4OS MolecularWeight: 406.97258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=S)NCC1=CC=C(C=C1)Cl)N(CCOC)C2=NC=CC=N2

Isomeric SMILES

CC(C)CC(C(=S)NCC1=CC=C(C=C1)Cl)N(CCOC)C2=NC=CC=N2

InChI

InChI=1S/C20H27ClN4OS/c1-15(2)13-18(19(27)24-14-16-5-7-17(21)8-6-16)25(11-12-26-3)20-22-9-4-10-23-20/h4-10,15,18H,11-14H2,1-3H3,(H,24,27)