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

Systemtic Name: N-[(4-chlorophenyl)methyl]-4-methyl-2-[prop-2-enyl(pyrimidin-2-yl)amino]pentanethioamide Openeye Name: 2-[allyl(pyrimidin-2-yl)amino]-N-[(4-chlorophenyl)methyl]-4-methyl-pentanethioamide CAS Name: N-[(4-chlorophenyl)methyl]-4-methyl-2-[prop-2-enyl(2-pyrimidinyl)amino]pentanethioamide IUPAC Name: N-[(4-chlorophenyl)methyl]-4-methyl-2-[prop-2-enyl(pyrimidin-2-yl)amino]pentanethioamide Traditional Name: 2-[allyl(2-pyrimidyl)amino]-N-(4-chlorobenzyl)-4-methyl-thiovaleramide Formula: C20H25ClN4S MolecularWeight: 388.9573

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN4S/c1-4-12-25(20-22-10-5-11-23-20)18(13-15(2)3)19(26)24-14-16-6-8-17(21)9-7-16/h4-11,15,18H,1,12-14H2,2-3H3,(H,24,26)