4-tert-butyl-N-[2-methyl-3-[2-[(4-thiomorpholin-4-ylcarbonylphenyl)amino]pyrimidin-4-yl]phenyl]benzamide

Systemtic Name: 4-tert-butyl-N-[2-methyl-3-[2-[(4-thiomorpholin-4-ylcarbonylphenyl)amino]pyrimidin-4-yl]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[2-methyl-3-[2-[4-(thiomorpholine-4-carbonyl)anilino]pyrimidin-4-yl]phenyl]benzamide CAS Name: 4-tert-butyl-N-[2-methyl-3-[2-[4-[oxo(thiomorpholin-4-yl)methyl]anilino]-4-pyrimidinyl]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[2-methyl-3-[2-[4-(thiomorpholine-4-carbonyl)anilino]pyrimidin-4-yl]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[2-methyl-3-[2-[4-(thiomorpholine-4-carbonyl)anilino]pyrimidin-4-yl]phenyl]benzamide Formula: C33H35N5O2S MolecularWeight: 565.7283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)C(C)(C)C)C3=NC(=NC=C3)NC4=CC=C(C=C4)C(=O)N5CCSCC5

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)C(C)(C)C)C3=NC(=NC=C3)NC4=CC=C(C=C4)C(=O)N5CCSCC5

InChI

InChI=1S/C33H35N5O2S/c1-22-27(6-5-7-28(22)36-30(39)23-8-12-25(13-9-23)33(2,3)4)29-16-17-34-32(37-29)35-26-14-10-24(11-15-26)31(40)38-18-20-41-21-19-38/h5-17H,18-21H2,1-4H3,(H,36,39)(H,34,35,37)