N-[(4-chlorophenyl)methyl]-4-methyl-2-[(6-methyl-2-phenyl-pyrimidin-4-yl)-prop-2-enyl-amino]pentanethioamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-4-methyl-2-[(6-methyl-2-phenyl-pyrimidin-4-yl)-prop-2-enyl-amino]pentanethioamide Openeye Name: 2-[allyl-(6-methyl-2-phenyl-pyrimidin-4-yl)amino]-N-[(4-chlorophenyl)methyl]-4-methyl-pentanethioamide CAS Name: N-[(4-chlorophenyl)methyl]-4-methyl-2-[(6-methyl-2-phenyl-4-pyrimidinyl)-prop-2-enylamino]pentanethioamide IUPAC Name: N-[(4-chlorophenyl)methyl]-4-methyl-2-[(6-methyl-2-phenylpyrimidin-4-yl)-prop-2-enylamino]pentanethioamide Traditional Name: 2-[allyl-(6-methyl-2-phenyl-pyrimidin-4-yl)amino]-N-(4-chlorobenzyl)-4-methyl-thiovaleramide Formula: C27H31ClN4S MolecularWeight: 479.07984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C2=CC=CC=C2)N(CC=C)C(CC(C)C)C(=S)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=NC(=N1)C2=CC=CC=C2)N(CC=C)C(CC(C)C)C(=S)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C27H31ClN4S/c1-5-15-32(25-17-20(4)30-26(31-25)22-9-7-6-8-10-22)24(16-19(2)3)27(33)29-18-21-11-13-23(28)14-12-21/h5-14,17,19,24H,1,15-16,18H2,2-4H3,(H,29,33)