N-[(4-chlorophenyl)methylsulfanyl]-N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-4-(4-methylphenyl)-4-oxidanylidene-butanamide

Systemtic Name: N-[(4-chlorophenyl)methylsulfanyl]-N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-4-(4-methylphenyl)-4-oxidanylidene-butanamide Openeye Name: N-[(4-chlorophenyl)methylsulfanyl]-N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-4-oxo-4-(p-tolyl)butanamide CAS Name: N-[(4-chlorophenyl)methylthio]-N-[4-[[4-(dimethylamino)-2-pyrimidinyl]amino]cyclohexyl]-4-(4-methylphenyl)-4-oxobutanamide IUPAC Name: N-[(4-chlorophenyl)methylsulfanyl]-N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-4-(4-methylphenyl)-4-oxobutanamide Traditional Name: N-[(4-chlorobenzyl)thio]-N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-4-keto-4-(p-tolyl)butyramide Formula: C30H36ClN5O2S MolecularWeight: 566.15714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CCC(=O)N(C2CCC(CC2)NC3=NC=CC(=N3)N(C)C)SCC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CCC(=O)N(C2CCC(CC2)NC3=NC=CC(=N3)N(C)C)SCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C30H36ClN5O2S/c1-21-4-8-23(9-5-21)27(37)16-17-29(38)36(39-20-22-6-10-24(31)11-7-22)26-14-12-25(13-15-26)33-30-32-19-18-28(34-30)35(2)3/h4-11,18-19,25-26H,12-17,20H2,1-3H3,(H,32,33,34)