(4S)-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-6-methyl-N-(phenylmethyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: (4S)-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-6-methyl-N-(phenylmethyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: (4S)-N-benzyl-4-(3,5-ditert-butyl-4-hydroxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: (4S)-4-(3,5-ditert-butyl-4-hydroxyphenyl)-6-methyl-N-(phenylmethyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: (4S)-N-benzyl-4-(3,5-ditert-butyl-4-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: (4S)-N-benzyl-4-(3,5-ditert-butyl-4-hydroxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C27H35N3O2S MolecularWeight: 465.6507

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C([C@@H](NC(=S)N1)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C27H35N3O2S/c1-16-21(24(32)28-15-17-11-9-8-10-12-17)22(30-25(33)29-16)18-13-19(26(2,3)4)23(31)20(14-18)27(5,6)7/h8-14,22,31H,15H2,1-7H3,(H,28,32)(H2,29,30,33)/t22-/m0/s1